N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C13H14F3N5 — CID 56872320

IUPACN-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(Cc1ccncn1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-21(8-11-3-6-17-9-19-11)12-18-7-4-10(20-12)2-5-13(14,15)16/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyMOQDVGKPGYSIEL-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56872320) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56872320
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC NameN-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(Cc1ccncn1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-21(8-11-3-6-17-9-19-11)12-18-7-4-10(20-12)2-5-13(14,15)16/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyMOQDVGKPGYSIEL-UHFFFAOYSA-N
XLogP2.40
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475711
4-(4-Methylpiperazino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1475713
N,N-dimethyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475712
N,N-diethyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475718
N-methyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877238
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
4-Isobutylpyrimidine
CID 565104
4-Butylpyrimidin-2-amine
CID 68303122
2-Chloro-4-(1,1-difluoroethyl)pyrimidine
CID 145867306
4,6-dimethyl-N-(1-methyl-2-pyrazin-2-ylethyl)pyrimidin-2-amine
CID 50967182

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56872320) is N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN(Cc1ccncn1)c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is MOQDVGKPGYSIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-21(8-11-3-6-17-9-19-11)12-18-7-4-10(20-12)2-5-13(14,15)16/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 297.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56872320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).