N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen

C71H80N24O2S — CID 159864896

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen (PubChem CID 159864896) has the molecular formula C71H80N24O2S and a molecular weight of 1333.65 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen
• PubChem CID: 159864896
• Molecular Formula: C71H80N24O2S
• Molecular Weight: 1333.65 g/mol
• Exact Mass: 1332.66
• IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.C/C=C/c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(Nc2nccc(Cc3cc(C4CC4)n[nH]3)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3[nH]ncc3c2)n1
• InChI: InChI=1S/C19H19N5.C18H15N5.C17H16N8.C17H18N6O2S.6H2/c1-2-6-15-12-20-18(14-7-4-3-5-8-14)22-19(15)21-17-11-16(23-24-17)13-9-10-13;1-2-12-11-19-17(14-6-4-3-5-7-14)21-18(12)20-16-10-15(22-23-16)13-8-9-13;1-2-10(1)14-8-16(25-24-14)21-15-5-6-18-17(22-15)20-12-3-4-13-11(7-12)9-19-23-13;18-26(24,25)15-5-3-12(4-6-15)20-17-19-8-7-13(21-17)9-14-10-16(23-22-14)11-1-2-11;;;;;;/h2-8,11-13H,9-10H2,1H3,(H2,20,21,22,23,24);1,3-7,10-11,13H,8-9H2,(H2,19,20,21,22,23);3-10H,1-2H2,(H,19,23)(H3,18,20,21,22,24,25);3-8,10-11H,1-2,9H2,(H,22,23)(H2,18,24,25)(H,19,20,21);6*1H/b6-2+
• InChIKey: NRPNFYLYIHUAOU-GRIRKQFOSA-N
• XLogP: 14.97
• TPSA: 366.83 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1333.65
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen?

The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen (CID 159864896) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen.

What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen?

The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen is C#Cc1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.C/C=C/c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(Nc2nccc(Cc3cc(C4CC4)n[nH]3)n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3[nH]ncc3c2)n1.

What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen?

The InChIKey is NRPNFYLYIHUAOU-GRIRKQFOSA-N. The full InChI is InChI=1S/C19H19N5.C18H15N5.C17H16N8.C17H18N6O2S.6H2/c1-2-6-15-12-20-18(14-7-4-3-5-8-14)22-19(15)21-17-11-16(23-24-17)13-9-10-13;1-2-12-11-19-17(14-6-4-3-5-7-14)21-18(12)20-16-10-15(22-23-16)13-8-9-13;1-2-10(1)14-8-16(25-24-14)21-15-5-6-18-17(22-15)20-12-3-4-13-11(7-12)9-19-23-13;18-26(24,25)15-5-3-12(4-6-15)20-17-19-8-7-13(21-17)9-14-10-16(23-22-14)11-1-2-11;;;;;;/h2-8,11-13H,9-10H2,1H3,(H2,20,21,22,23,24);1,3-7,10-11,13H,8-9H2,(H2,19,20,21,22,23);3-10H,1-2H2,(H,19,23)(H3,18,20,21,22,24,25);3-8,10-11H,1-2,9H2,(H,22,23)(H2,18,24,25)(H,19,20,21);6*1H/b6-2+;;;;;;;;;.

What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen?

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen has a molecular weight of 1333.65 g/mol, XLogP of 14.97, 20 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-phenylpyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine;4-[[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenyl-5-[(E)-prop-1-enyl]pyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 159864896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).