(E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride

C95H99ClN30O5 — CID 159828052

About (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride

(E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride (PubChem CID 159828052) has the molecular formula C95H99ClN30O5 and a molecular weight of 1776.49 g/mol. Its IUPAC name is (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride.

Molecular Properties

• Compound Name: (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride
• PubChem CID: 159828052
• Molecular Formula: C95H99ClN30O5
• Molecular Weight: 1776.49 g/mol
• Exact Mass: 1774.81
• IUPAC Name: (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride
• SMILES: C1Cc2n[nH]nc2CN1.CC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.CN(C)/C=C/C(=O)c1cnc(NC2Cc3ccccc3C2)nc1.Cl.O=C(Cn1ccc(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(O)Cn1ccc(-c2cnc(NC3Cc4ccccc4C3)nc2)n1.c1ccc2c(c1)CC(Nc1ncc(-c3ccn[nH]3)cn1)C2
• InChI: InChI=1S/C23H23N9O.C18H17N5O2.C18H20N4O.C16H15N5.C15H15N3O.C5H8N4.ClH/c33-22(31-7-5-20-21(13-31)28-30-27-20)14-32-8-6-19(29-32)17-11-24-23(25-12-17)26-18-9-15-3-1-2-4-16(15)10-18;24-17(25)11-23-6-5-16(22-23)14-9-19-18(20-10-14)21-15-7-12-3-1-2-4-13(12)8-15;1-22(2)8-7-17(23)15-11-19-18(20-12-15)21-16-9-13-5-3-4-6-14(13)10-16;1-2-4-12-8-14(7-11(12)3-1)20-16-17-9-13(10-18-16)15-5-6-19-21-15;1-10(19)13-8-16-15(17-9-13)18-14-6-11-4-2-3-5-12(11)7-14;1-2-6-3-5-4(1)7-9-8-5;/h1-4,6,8,11-12,18H,5,7,9-10,13-14H2,(H,24,25,26)(H,27,28,30);1-6,9-10,15H,7-8,11H2,(H,24,25)(H,19,20,21);3-8,11-12,16H,9-10H2,1-2H3,(H,19,20,21);1-6,9-10,14H,7-8H2,(H,19,21)(H,17,18,20);2-5,8-9,14H,6-7H2,1H3,(H,16,17,18);6H,1-3H2,(H,7,8,9);1H/b;;8-7+
• InChIKey: URXULBAPCVVREK-SQQDZJGUSA-N
• XLogP: 10.52
• TPSA: 443.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.49
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?

The IUPAC name of (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride (CID 159828052) is (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride.

What is the SMILES notation for (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?

The canonical SMILES for (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride is C1Cc2n[nH]nc2CN1.CC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.CN(C)/C=C/C(=O)c1cnc(NC2Cc3ccccc3C2)nc1.Cl.O=C(Cn1ccc(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(O)Cn1ccc(-c2cnc(NC3Cc4ccccc4C3)nc2)n1.c1ccc2c(c1)CC(Nc1ncc(-c3ccn[nH]3)cn1)C2.

What is the InChIKey of (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?

The InChIKey is URXULBAPCVVREK-SQQDZJGUSA-N. The full InChI is InChI=1S/C23H23N9O.C18H17N5O2.C18H20N4O.C16H15N5.C15H15N3O.C5H8N4.ClH/c33-22(31-7-5-20-21(13-31)28-30-27-20)14-32-8-6-19(29-32)17-11-24-23(25-12-17)26-18-9-15-3-1-2-4-16(15)10-18;24-17(25)11-23-6-5-16(22-23)14-9-19-18(20-10-14)21-15-7-12-3-1-2-4-13(12)8-15;1-22(2)8-7-17(23)15-11-19-18(20-12-15)21-16-9-13-5-3-4-6-14(13)10-16;1-2-4-12-8-14(7-11(12)3-1)20-16-17-9-13(10-18-16)15-5-6-19-21-15;1-10(19)13-8-16-15(17-9-13)18-14-6-11-4-2-3-5-12(11)7-14;1-2-6-3-5-4(1)7-9-8-5;/h1-4,6,8,11-12,18H,5,7,9-10,13-14H2,(H,24,25,26)(H,27,28,30);1-6,9-10,15H,7-8,11H2,(H,24,25)(H,19,20,21);3-8,11-12,16H,9-10H2,1-2H3,(H,19,20,21);1-6,9-10,14H,7-8H2,(H,19,21)(H,17,18,20);2-5,8-9,14H,6-7H2,1H3,(H,16,17,18);6H,1-3H2,(H,7,8,9);1H/b;;8-7+;;;;.

What are the key properties of (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?

(E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride has a molecular weight of 1776.49 g/mol, XLogP of 10.52, 21 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]ethanone;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-5-yl)pyrimidin-2-amine;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 159828052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).