N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine

C13H16F3N5 — CID 177140894

IUPACN-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1
InChIInChI=1S/C13H16F3N5/c1-8(2)21-7-10(13(14,15)16)20-12(21)11-18-5-9(4-17-3)6-19-11/h5-8,17H,4H2,1-3H3
InChIKeySXZXKRTYPVPGCO-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.66
Rot. Bonds4

About N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine

N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine (PubChem CID 177140894) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine
PubChem CID177140894
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1
InChIInChI=1S/C13H16F3N5/c1-8(2)21-7-10(13(14,15)16)20-12(21)11-18-5-9(4-17-3)6-19-11/h5-8,17H,4H2,1-3H3
InChIKeySXZXKRTYPVPGCO-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-[6-[4-(trifluoromethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 134135736
2-[2-(2-methoxypyrimidin-5-yl)-1H-imidazol-1-yl]-N,N-dimethylethanamine
CID 56869757
(6-Methylimidazo[1,2-a]pyrimidin-2-yl)methanamine
CID 55266767
N,N,2-trimethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-amine
CID 134862830
N~2~,N~4~,N~4~,5-tetramethyl-N~2~-[3-(1-methyl-1H-imidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 50965651
5-(1-cyclopentyl-1H-imidazol-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 56750335
5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine
CID 71996281
5-ethyl-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]pyrimidin-2-amine
CID 72890109
5-methyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)pyrimidin-2-amine
CID 72909182
5-methyl-N~4~-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)pyrimidine-2,4-diamine
CID 72936794
N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 75377478
N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 75442089

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine (CID 177140894) is N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine is CNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1.
What is the InChIKey of N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine?
The InChIKey is SXZXKRTYPVPGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-8(2)21-7-10(13(14,15)16)20-12(21)11-18-5-9(4-17-3)6-19-11/h5-8,17H,4H2,1-3H3.
What are the key properties of N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine?
N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine has a molecular weight of 299.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 177140894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).