6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine

C17H13F3N4 — CID 112877862

IUPAC6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(Nc2ccccc2F)n1
InChIInChI=1S/C17H13F3N4/c1-10-21-16(23-11-6-7-12(18)14(20)8-11)9-17(22-10)24-15-5-3-2-4-13(15)19/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyZGRSYRGPJRXNFW-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.69
Rot. Bonds4

About 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine

6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112877862) has the molecular formula C17H13F3N4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112877862
Molecular FormulaC17H13F3N4
Molecular Weight330.31 g/mol
Exact Mass330.11
IUPAC Name6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(Nc2ccccc2F)n1
InChIInChI=1S/C17H13F3N4/c1-10-21-16(23-11-6-7-12(18)14(20)8-11)9-17(22-10)24-15-5-3-2-4-13(15)19/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyZGRSYRGPJRXNFW-UHFFFAOYSA-N
XLogP4.69
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112877826
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851
6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 154882758
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877931
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872105

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112877862) is 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccc(F)c(F)c2)cc(Nc2ccccc2F)n1.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is ZGRSYRGPJRXNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4/c1-10-21-16(23-11-6-7-12(18)14(20)8-11)9-17(22-10)24-15-5-3-2-4-13(15)19/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 330.31 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).