N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine

C13H22N4O — CID 75358087

IUPACN-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCCN1CCCC(CNc2nccc(OC)n2)C1
InChIInChI=1S/C13H22N4O/c1-3-17-8-4-5-11(10-17)9-15-13-14-7-6-12(16-13)18-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,15,16)
InChIKeyPGFCEJZXTAMLFI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.63
Rot. Bonds5

About N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine

N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 75358087) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID75358087
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCCN1CCCC(CNc2nccc(OC)n2)C1
InChIInChI=1S/C13H22N4O/c1-3-17-8-4-5-11(10-17)9-15-13-14-7-6-12(16-13)18-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,15,16)
InChIKeyPGFCEJZXTAMLFI-UHFFFAOYSA-N
XLogP1.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine (CID 75358087) is N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine is CCN1CCCC(CNc2nccc(OC)n2)C1.
What is the InChIKey of N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is PGFCEJZXTAMLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-8-4-5-11(10-17)9-15-13-14-7-6-12(16-13)18-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine?
N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 75358087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).