N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

C15H15F2N3 — CID 62744118

IUPACN-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H15F2N3/c1-9-6-12(8-18-11-3-4-11)20-15(19-9)10-2-5-13(16)14(17)7-10/h2,5-7,11,18H,3-4,8H2,1H3
InChIKeyNXLITFYSFHLRQQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.98
Rot. Bonds4

About N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 62744118) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID62744118
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H15F2N3/c1-9-6-12(8-18-11-3-4-11)20-15(19-9)10-2-5-13(16)14(17)7-10/h2,5-7,11,18H,3-4,8H2,1H3
InChIKeyNXLITFYSFHLRQQ-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 107923063
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
N-[[2-(4-ethylsulfanylphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 106849764
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
N-[[2-(3-bromo-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]cyclopropanamine
CID 82790078
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[[2-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746412
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745885
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[[6-methyl-2-(2-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221207
N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221355

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (CID 62744118) is N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)nc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is NXLITFYSFHLRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-9-6-12(8-18-11-3-4-11)20-15(19-9)10-2-5-13(16)14(17)7-10/h2,5-7,11,18H,3-4,8H2,1H3.
What are the key properties of N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 275.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62744118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).