N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C13H16F3N5 — CID 56862554

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(Cc1nccn1C)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-20-8-7-17-11(20)9-21(2)12-18-6-4-10(19-12)3-5-13(14,15)16/h4,6-8H,3,5,9H2,1-2H3
InChIKeyFNIWRGOQSKXBNQ-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56862554) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56862554
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(Cc1nccn1C)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-20-8-7-17-11(20)9-21(2)12-18-6-4-10(19-12)3-5-13(14,15)16/h4,6-8H,3,5,9H2,1-2H3
InChIKeyFNIWRGOQSKXBNQ-UHFFFAOYSA-N
XLogP2.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Methylimidazol-1-ylmethyl)pyridine
CID 10313324
2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
2-(1-methyl-1H-imidazol-2-yl)pyridine
CID 10327359
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
1-(1H-imidazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56714603
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870118
N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56872320
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336
4-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]-1-piperazinyl}-6-(trifluoromethyl)pyrimidine
CID 56906811
2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-(trifluoromethyl)pyrimidine
CID 70706800
2-[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-(trifluoromethyl)pyrimidine
CID 72871667

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56862554) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN(Cc1nccn1C)c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is FNIWRGOQSKXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-20-8-7-17-11(20)9-21(2)12-18-6-4-10(19-12)3-5-13(14,15)16/h4,6-8H,3,5,9H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56862554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).