4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine

C12H13FN4 — CID 80825736

IUPAC4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(F)c(C)c2)ncn1
InChIInChI=1S/C12H13FN4/c1-8-5-9(3-4-10(8)13)17-12-6-11(14-2)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyRAHQBVIBIOEWOE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.71
Rot. Bonds3

About 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80825736) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80825736
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(F)c(C)c2)ncn1
InChIInChI=1S/C12H13FN4/c1-8-5-9(3-4-10(8)13)17-12-6-11(14-2)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyRAHQBVIBIOEWOE-UHFFFAOYSA-N
XLogP2.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865260
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
4-N-(4-fluoro-3-methylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80824530
4-N-(4-fluoro-3-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80824944
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762561
4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80825736) is 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(F)c(C)c2)ncn1.
What is the InChIKey of 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is RAHQBVIBIOEWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-5-9(3-4-10(8)13)17-12-6-11(14-2)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).