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

C18H16ClFN4 — CID 112858961

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C18H16ClFN4/c1-12-4-2-3-5-13(12)10-21-17-9-18(23-11-22-17)24-14-6-7-16(20)15(19)8-14/h2-9,11H,10H2,1H3,(H2,21,22,23,24)
InChIKeyDLKNPOUHJRUIBW-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.93
Rot. Bonds5

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

4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112858961) has the molecular formula C18H16ClFN4 and a molecular weight of 342.81 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112858961
Molecular FormulaC18H16ClFN4
Molecular Weight342.81 g/mol
Exact Mass342.10
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C18H16ClFN4/c1-12-4-2-3-5-13(12)10-21-17-9-18(23-11-22-17)24-14-6-7-16(20)15(19)8-14/h2-9,11H,10H2,1H3,(H2,21,22,23,24)
InChIKeyDLKNPOUHJRUIBW-UHFFFAOYSA-N
XLogP4.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
4-N-(3-chloro-4-fluorophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856757
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862613
N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155687
4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859683
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
4-N-(3-chloro-4-fluorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891827
N-(3-chloro-4-methylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348081
1-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865975
1-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865974
6-N-(3-chloro-4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864998

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112858961) is 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1ccccc1CNc1cc(Nc2ccc(F)c(Cl)c2)ncn1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is DLKNPOUHJRUIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4/c1-12-4-2-3-5-13(12)10-21-17-9-18(23-11-22-17)24-14-6-7-16(20)15(19)8-14/h2-9,11H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 342.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112858961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).