4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine

C15H26N4O — CID 80806455

IUPAC4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCCC(OCC)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-8-16-15-17-10-12(3)14(18-15)19-9-6-7-13(11-19)20-5-2/h10,13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyNJRQSLLMYOKZFX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds6

About 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine

4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80806455) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80806455
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCCC(OCC)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-8-16-15-17-10-12(3)14(18-15)19-9-6-7-13(11-19)20-5-2/h10,13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyNJRQSLLMYOKZFX-UHFFFAOYSA-N
XLogP2.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80829879
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80806454
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
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826
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-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681
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
5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine
CID 80806982

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine (CID 80806455) is 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(N2CCCC(OCC)C2)n1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is NJRQSLLMYOKZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-8-16-15-17-10-12(3)14(18-15)19-9-6-7-13(11-19)20-5-2/h10,13H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80806455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).