6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H16F3N5 — CID 106773487

IUPAC6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(-n2cnc(C)c2C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-4-5-17-10-6-11(20-12(19-10)13(14,15)16)21-7-18-8(2)9(21)3/h6-7H,4-5H2,1-3H3,(H,17,19,20)
InChIKeyKRJGSPXFBZCLNY-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.12
Rot. Bonds4

About 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773487) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773487
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(-n2cnc(C)c2C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-4-5-17-10-6-11(20-12(19-10)13(14,15)16)21-7-18-8(2)9(21)3/h6-7H,4-5H2,1-3H3,(H,17,19,20)
InChIKeyKRJGSPXFBZCLNY-UHFFFAOYSA-N
XLogP3.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-[6-[4-(ethylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520935
1-[6-[4-[(Dimethylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520938
1-[6-[4-(Diethylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520939
1-Ethyl-3-[6-[4-(methylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520940
1-[6-[4-[(Dipropylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520941
1-Ethyl-3-[6-[4-(trifluoromethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 134135736
1-Ethyl-3-[6-[4-[(prop-2-ynylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 145952532
1-Ethyl-3-[6-[4-[[methyl(prop-2-ynyl)amino]methyl]imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 145954575
1-Ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134139840
1-[6-[4-[(Dipropylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea;hydrochloride
CID 134152473
1-Ethyl-3-[6-(2-ethylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134156062
4-N,4-N-dimethyl-6-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrimidine-4,6-diamine
CID 97467288

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773487) is 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(-n2cnc(C)c2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KRJGSPXFBZCLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-4-5-17-10-6-11(20-12(19-10)13(14,15)16)21-7-18-8(2)9(21)3/h6-7H,4-5H2,1-3H3,(H,17,19,20).
What are the key properties of 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 299.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethylimidazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).