4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine

C17H14ClFN4 — CID 112859776

IUPAC4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESFc1ccc(CNc2cc(Nc3cccc(Cl)c3)ncn2)cc1
InChIInChI=1S/C17H14ClFN4/c18-13-2-1-3-15(8-13)23-17-9-16(21-11-22-17)20-10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,20,21,22,23)
InChIKeyPDBXCAPTCLZIFA-UHFFFAOYSA-N
MW328.78 g/mol
LogP4.62
Rot. Bonds5

About 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine

4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112859776) has the molecular formula C17H14ClFN4 and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112859776
Molecular FormulaC17H14ClFN4
Molecular Weight328.78 g/mol
Exact Mass328.09
IUPAC Name4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESFc1ccc(CNc2cc(Nc3cccc(Cl)c3)ncn2)cc1
InChIInChI=1S/C17H14ClFN4/c18-13-2-1-3-15(8-13)23-17-9-16(21-11-22-17)20-10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,20,21,22,23)
InChIKeyPDBXCAPTCLZIFA-UHFFFAOYSA-N
XLogP4.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112860035
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
4-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192877
4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859762
2-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112859839
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112864590
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265801
6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10342262

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine (CID 112859776) is 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine is Fc1ccc(CNc2cc(Nc3cccc(Cl)c3)ncn2)cc1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is PDBXCAPTCLZIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4/c18-13-2-1-3-15(8-13)23-17-9-16(21-11-22-17)20-10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,20,21,22,23).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 328.78 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).