4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine

C17H14Cl2N4 — CID 112876944

IUPAC4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2)cc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C17H14Cl2N4/c1-11-20-15(22-12-6-3-2-4-7-12)10-16(21-11)23-14-9-5-8-13(18)17(14)19/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyLKDSJZHPXXAXTD-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.58
Rot. Bonds4

About 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine

4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 112876944) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
PubChem CID112876944
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2)cc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C17H14Cl2N4/c1-11-20-15(22-12-6-3-2-4-7-12)10-16(21-11)23-14-9-5-8-13(18)17(14)19/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyLKDSJZHPXXAXTD-UHFFFAOYSA-N
XLogP5.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(2,3-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194960
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877931
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867819
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine (CID 112876944) is 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine is Cc1nc(Nc2ccccc2)cc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is LKDSJZHPXXAXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c1-11-20-15(22-12-6-3-2-4-7-12)10-16(21-11)23-14-9-5-8-13(18)17(14)19/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 345.23 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).