N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine

C13H13F2N3 — CID 133474574

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2ccc(C(F)F)cc2)n1
InChIInChI=1S/C13H13F2N3/c1-9-6-7-16-13(18-9)17-8-10-2-4-11(5-3-10)12(14)15/h2-7,12H,8H2,1H3,(H,16,17,18)
InChIKeyTZVFSTZPEQGLKL-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.33
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine

N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine (PubChem CID 133474574) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine
PubChem CID133474574
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2ccc(C(F)F)cc2)n1
InChIInChI=1S/C13H13F2N3/c1-9-6-7-16-13(18-9)17-8-10-2-4-11(5-3-10)12(14)15/h2-7,12H,8H2,1H3,(H,16,17,18)
InChIKeyTZVFSTZPEQGLKL-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 62958563
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine
CID 75436410
(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
CID 94197015

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine (CID 133474574) is N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCc2ccc(C(F)F)cc2)n1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine?
The InChIKey is TZVFSTZPEQGLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-9-6-7-16-13(18-9)17-8-10-2-4-11(5-3-10)12(14)15/h2-7,12H,8H2,1H3,(H,16,17,18).
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine has a molecular weight of 249.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133474574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).