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

C13H14F2N4 — CID 80821596

IUPAC4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C13H14F2N4/c1-8-6-18-13(16-2)19-12(8)17-7-9-3-4-10(14)5-11(9)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19)
InChIKeySLXRBENEUYLMJT-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.72
Rot. Bonds4

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

4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80821596) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80821596
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C13H14F2N4/c1-8-6-18-13(16-2)19-12(8)17-7-9-3-4-10(14)5-11(9)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19)
InChIKeySLXRBENEUYLMJT-UHFFFAOYSA-N
XLogP2.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279
4-N-[(4-fluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80777231
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
CID 63229190
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62228344
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
5-methyl-2-N-(1-methylpyrazol-4-yl)-4-N-[(2,3,5-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 72706416
2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine
CID 114112685
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 62228513
4-N-[(2,5-difluorophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80846346
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80821596) is 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(NCc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is SLXRBENEUYLMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-8-6-18-13(16-2)19-12(8)17-7-9-3-4-10(14)5-11(9)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 264.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80821596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).