4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine

C21H22N8 — CID 59757801

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ncc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C21H22N8/c1-13-9-18(26-19-10-16(28-29-19)15-7-8-15)27-21(24-13)23-12-20-22-11-17(25-20)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3,(H,22,25)(H3,23,24,26,27,28,29)
InChIKeyOJTUEOKDDKRVRS-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.13
Rot. Bonds7

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59757801) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59757801
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ncc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C21H22N8/c1-13-9-18(26-19-10-16(28-29-19)15-7-8-15)27-21(24-13)23-12-20-22-11-17(25-20)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3,(H,22,25)(H3,23,24,26,27,28,29)
InChIKeyOJTUEOKDDKRVRS-UHFFFAOYSA-N
XLogP4.13
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 59757801) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ncc(-c3ccccc3)[nH]2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is OJTUEOKDDKRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-13-9-18(26-19-10-16(28-29-19)15-7-8-15)27-21(24-13)23-12-20-22-11-17(25-20)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3,(H,22,25)(H3,23,24,26,27,28,29).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 386.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).