N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C14H21F3N4 — CID 106772934

IUPACN-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCC(C(C)C)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-4-18-11-7-12(20-13(19-11)14(15,16)17)21-6-5-10(8-21)9(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyRRKXGDPAFCQCRJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.41
Rot. Bonds4

About N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106772934) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106772934
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCC(C(C)C)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-4-18-11-7-12(20-13(19-11)14(15,16)17)21-6-5-10(8-21)9(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyRRKXGDPAFCQCRJ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106770296
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771326
N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847527
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
6-(2,4-dimethylpyrrolidin-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773251
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106773424
6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770258
N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrazin-2-amine
CID 113244048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106772934) is N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(N2CCC(C(C)C)C2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RRKXGDPAFCQCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-4-18-11-7-12(20-13(19-11)14(15,16)17)21-6-5-10(8-21)9(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106772934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).