5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C22H21ClN6O — CID 25265544

IUPAC5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C22H21ClN6O/c1-13-9-18(19(30-3)11-16(13)15-7-5-4-6-8-15)25-22-24-12-17(23)21(27-22)26-20-10-14(2)28-29-20/h4-12H,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyLWABKHPNXBGHJC-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.63
Rot. Bonds6

About 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 25265544) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID25265544
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C22H21ClN6O/c1-13-9-18(19(30-3)11-16(13)15-7-5-4-6-8-15)25-22-24-12-17(23)21(27-22)26-20-10-14(2)28-29-20/h4-12H,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyLWABKHPNXBGHJC-UHFFFAOYSA-N
XLogP5.63
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)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 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 25265544) is 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is COc1cc(-c2ccccc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is LWABKHPNXBGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-13-9-18(19(30-3)11-16(13)15-7-5-4-6-8-15)25-22-24-12-17(23)21(27-22)26-20-10-14(2)28-29-20/h4-12H,1-3H3,(H3,24,25,26,27,28,29).
What are the key properties of 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 420.90 g/mol, XLogP of 5.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(2-methoxy-5-methyl-4-phenylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25265544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).