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

C18H16Cl2N4 — CID 112927646

IUPAC4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C18H16Cl2N4/c1-12-10-17(22-13-8-9-15(19)16(20)11-13)23-18(21-12)24(2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22,23)
InChIKeyYVEOLNZKBRHSLR-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.60
Rot. Bonds4

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

4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112927646) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112927646
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C18H16Cl2N4/c1-12-10-17(22-13-8-9-15(19)16(20)11-13)23-18(21-12)24(2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22,23)
InChIKeyYVEOLNZKBRHSLR-UHFFFAOYSA-N
XLogP5.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-dimethyl-2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916665
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939
N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80926388
4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112913498
2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
CID 112925381
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
4-N-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166329636
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924247
4-N-(4-bromo-3-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902148
4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine
CID 71303239

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine (CID 112927646) is 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is YVEOLNZKBRHSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c1-12-10-17(22-13-8-9-15(19)16(20)11-13)23-18(21-12)24(2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 359.26 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112927646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).