4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine

C13H15FN4 — CID 80777941

IUPAC4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-8-12(15)17-9(2)18-13(8)16-7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyXMRWKABKOIPQJP-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.43
Rot. Bonds3

About 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine

4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80777941) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80777941
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-8-12(15)17-9(2)18-13(8)16-7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyXMRWKABKOIPQJP-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-diamine
CID 80795260
2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831875
4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761015
4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80852310
2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80822600
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine (CID 80777941) is 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NCc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is XMRWKABKOIPQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-8-12(15)17-9(2)18-13(8)16-7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine?
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80777941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).