2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

C20H21ClN4O — CID 112916144

IUPAC2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1nc(C)cc(NCc2cccc(C)c2)n1
InChIInChI=1S/C20H21ClN4O/c1-13-5-4-6-15(9-13)12-22-19-10-14(2)23-20(25-19)24-17-11-16(21)7-8-18(17)26-3/h4-11H,12H2,1-3H3,(H2,22,23,24,25)
InChIKeyNWXWRVISBNSJLP-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.11
Rot. Bonds6

About 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112916144) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112916144
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1nc(C)cc(NCc2cccc(C)c2)n1
InChIInChI=1S/C20H21ClN4O/c1-13-5-4-6-15(9-13)12-22-19-10-14(2)23-20(25-19)24-17-11-16(21)7-8-18(17)26-3/h4-11H,12H2,1-3H3,(H2,22,23,24,25)
InChIKeyNWXWRVISBNSJLP-UHFFFAOYSA-N
XLogP5.11
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915556
2-N-(5-chloro-2-methylphenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922752
2-N-(5-chloro-2-methoxyphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917276
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916090
4-N-benzyl-2-N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915613
3-N-(2-methoxy-5-methylphenyl)-5-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948307
2-N-(4-chlorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922750
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928420
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929597
4-N-[(4-chlorophenyl)methyl]-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917979
2-N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916463
4-N-(5-chloro-2-methoxyphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918369

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112916144) is 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is COc1ccc(Cl)cc1Nc1nc(C)cc(NCc2cccc(C)c2)n1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NWXWRVISBNSJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13-5-4-6-15(9-13)12-22-19-10-14(2)23-20(25-19)24-17-11-16(21)7-8-18(17)26-3/h4-11H,12H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112916144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).