5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

C14H21F3N4 — CID 80829879

IUPAC5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C14H21F3N4/c1-3-6-18-13-19-8-10(2)12(20-13)21-7-4-5-11(9-21)14(15,16)17/h8,11H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyITHZNJFXHSMZKC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.39
Rot. Bonds4

About 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 80829879) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID80829879
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C14H21F3N4/c1-3-6-18-13-19-8-10(2)12(20-13)21-7-4-5-11(9-21)14(15,16)17/h8,11H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyITHZNJFXHSMZKC-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80806455
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826
5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
5-methyl-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80824205
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 103198569
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484
5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 114541868
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871
4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80830988

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (CID 80829879) is 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is CCCNc1ncc(C)c(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is ITHZNJFXHSMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-6-18-13-19-8-10(2)12(20-13)21-7-4-5-11(9-21)14(15,16)17/h8,11H,3-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80829879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).