4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine

C12H13FN4 — CID 80761101

IUPAC4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2F)nc(C)n1
InChIInChI=1S/C12H13FN4/c1-8-15-11(14-2)7-12(16-8)17-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyHURYQLBYBBZIKE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.71
Rot. Bonds3

About 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine

4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 80761101) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID80761101
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2F)nc(C)n1
InChIInChI=1S/C12H13FN4/c1-8-15-11(14-2)7-12(16-8)17-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyHURYQLBYBBZIKE-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

N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 154882758
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
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
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510
4-N-(2,3-dimethylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761966
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851
4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877853

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine (CID 80761101) is 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine is CNc1cc(Nc2ccccc2F)nc(C)n1.
What is the InChIKey of 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is HURYQLBYBBZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-15-11(14-2)7-12(16-8)17-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-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-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).