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

C14H21F3N4 — CID 114565002

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(N2CCCC2(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-4-7-18-12-19-10(14(15,16)17)9-11(20-12)21-8-5-6-13(21,2)3/h9H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyQQHMOKMSKGSVHS-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.70
Rot. Bonds4

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

4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114565002) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114565002
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(N2CCCC2(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-4-7-18-12-19-10(14(15,16)17)9-11(20-12)21-8-5-6-13(21,2)3/h9H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyQQHMOKMSKGSVHS-UHFFFAOYSA-N
XLogP3.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563756
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565646
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776
6-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102718440
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
3,5-dichloro-6-(2,2-dimethylpyrrolidin-1-yl)-N-propylpyridin-2-amine
CID 102758185
4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564198
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168
4-(cyclopentylmethylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566838

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114565002) is 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCNc1nc(N2CCCC2(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QQHMOKMSKGSVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-4-7-18-12-19-10(14(15,16)17)9-11(20-12)21-8-5-6-13(21,2)3/h9H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114565002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).