4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine

C19H20ClN5 — CID 112865907

IUPAC4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
SMILESCc1ccc(Cl)cc1Nc1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C19H20ClN5/c1-13-4-5-14(20)10-17(13)24-19-11-18(21-12-22-19)23-15-6-8-16(9-7-15)25(2)3/h4-12H,1-3H3,(H2,21,22,23,24)
InChIKeyMYXWQNGYRILLTA-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.99
Rot. Bonds5

About 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine

4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine (PubChem CID 112865907) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
PubChem CID112865907
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
SMILESCc1ccc(Cl)cc1Nc1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C19H20ClN5/c1-13-4-5-14(20)10-17(13)24-19-11-18(21-12-22-19)23-15-6-8-16(9-7-15)25(2)3/h4-12H,1-3H3,(H2,21,22,23,24)
InChIKeyMYXWQNGYRILLTA-UHFFFAOYSA-N
XLogP4.99
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-N-[4-(dimethylamino)phenyl]-4-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865180
4-N-(5-chloro-2-methylphenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112865911
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
4-N-(5-chloro-2-methylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854987
6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356981
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860950
6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866298
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112876996
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine (CID 112865907) is 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine is Cc1ccc(Cl)cc1Nc1cc(Nc2ccc(N(C)C)cc2)ncn1.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine?
The InChIKey is MYXWQNGYRILLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-4-5-14(20)10-17(13)24-19-11-18(21-12-22-19)23-15-6-8-16(9-7-15)25(2)3/h4-12H,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine?
4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine has a molecular weight of 353.86 g/mol, XLogP of 4.99, 5 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-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112865907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).