N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C13H16F3N5 — CID 80989270

IUPACN,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C13H16F3N5/c1-4-5-10-19-11(17-3)8(2)12(20-10)21-7-9(6-18-21)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,19,20)
InChIKeyCGPCSSVBPXEWIA-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.98
Rot. Bonds4

About N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80989270) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80989270
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C13H16F3N5/c1-4-5-10-19-11(17-3)8(2)12(20-10)21-7-9(6-18-21)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,19,20)
InChIKeyCGPCSSVBPXEWIA-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-6-(4-methylpyrazol-1-yl)-2-propylpyrimidin-4-amine
CID 80992979
N,5-dimethyl-2-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80992808
6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80988536
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80989030
6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991653
6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 104961762
N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794156
6-(2,3-dimethylpiperidin-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80982926
4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 80978782
N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868236
5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80989495

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80989270) is N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is CCCc1nc(NC)c(C)c(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is CGPCSSVBPXEWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-4-5-10-19-11(17-3)8(2)12(20-10)21-7-9(6-18-21)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,19,20).
What are the key properties of N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 299.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80989270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).