4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine

C19H20ClN5 — CID 112877996

IUPAC4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(N(C)C)cc2)cc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C19H20ClN5/c1-13-21-18(23-15-7-9-17(10-8-15)25(2)3)12-19(22-13)24-16-6-4-5-14(20)11-16/h4-12H,1-3H3,(H2,21,22,23,24)
InChIKeyTUBVAKOXTVKZIR-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.99
Rot. Bonds5

About 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine

4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112877996) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112877996
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(N(C)C)cc2)cc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C19H20ClN5/c1-13-21-18(23-15-7-9-17(10-8-15)25(2)3)12-19(22-13)24-16-6-4-5-14(20)11-16/h4-12H,1-3H3,(H2,21,22,23,24)
InChIKeyTUBVAKOXTVKZIR-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

4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112929719
4-[[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878011
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
1-(3-chlorophenyl)-3-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 50748072
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112876996
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877975
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867400
4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80788888
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
3-[[6-(4-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193459
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine (CID 112877996) is 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccc(N(C)C)cc2)cc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is TUBVAKOXTVKZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-21-18(23-15-7-9-17(10-8-15)25(2)3)12-19(22-13)24-16-6-4-5-14(20)11-16/h4-12H,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-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-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).