4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine

C20H21ClN4O — CID 112932591

IUPAC4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(Nc2cc(Cl)ccc2OC)cc(-c2ccccc2)n1
InChIInChI=1S/C20H21ClN4O/c1-3-11-22-20-24-16(14-7-5-4-6-8-14)13-19(25-20)23-17-12-15(21)9-10-18(17)26-2/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24,25)
InChIKeyMPNOWFOEHAHVNF-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.37
Rot. Bonds7

About 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine

4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112932591) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID112932591
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(Nc2cc(Cl)ccc2OC)cc(-c2ccccc2)n1
InChIInChI=1S/C20H21ClN4O/c1-3-11-22-20-24-16(14-7-5-4-6-8-14)13-19(25-20)23-17-12-15(21)9-10-18(17)26-2/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24,25)
InChIKeyMPNOWFOEHAHVNF-UHFFFAOYSA-N
XLogP5.37
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932590
2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937667
4-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921076
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933524
4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937206
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911985
4-N-(5-chloro-2-methoxyphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918369
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 52986012
4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
CID 70871060
4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80737026
4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935316
4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785157

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine (CID 112932591) is 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(Nc2cc(Cl)ccc2OC)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is MPNOWFOEHAHVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-3-11-22-20-24-16(14-7-5-4-6-8-14)13-19(25-20)23-17-12-15(21)9-10-18(17)26-2/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).