2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine

C12H10ClF2N3 — CID 79073279

IUPAC2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCc1ccc(F)cc1F
InChIInChI=1S/C12H10ClF2N3/c1-7-5-17-12(13)18-11(7)16-6-8-2-3-9(14)4-10(8)15/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyULFMCOBJZBPPFZ-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine

2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 79073279) has the molecular formula C12H10ClF2N3 and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
PubChem CID79073279
Molecular FormulaC12H10ClF2N3
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCc1ccc(F)cc1F
InChIInChI=1S/C12H10ClF2N3/c1-7-5-17-12(13)18-11(7)16-6-8-2-3-9(14)4-10(8)15/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyULFMCOBJZBPPFZ-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80821596
N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
CID 63229190
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196702
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 62228513
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]-3,5-difluorobenzenesulfonamide
CID 118155183
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
CID 62047650
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 79073684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine (CID 79073279) is 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine is Cc1cnc(Cl)nc1NCc1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is ULFMCOBJZBPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3/c1-7-5-17-12(13)18-11(7)16-6-8-2-3-9(14)4-10(8)15/h2-5H,6H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine?
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 269.68 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79073279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).