6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C18H28N4O2 — CID 109365891

IUPAC6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)NCC2CCCO2)nc(C)n1
InChIInChI=1S/C18H28N4O2/c1-3-14-7-4-5-9-22(14)17-11-16(20-13(2)21-17)18(23)19-12-15-8-6-10-24-15/h11,14-15H,3-10,12H2,1-2H3,(H,19,23)
InChIKeyUTVGTNDRBWWTDA-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.46
Rot. Bonds5

About 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109365891) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109365891
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)NCC2CCCO2)nc(C)n1
InChIInChI=1S/C18H28N4O2/c1-3-14-7-4-5-9-22(14)17-11-16(20-13(2)21-17)18(23)19-12-15-8-6-10-24-15/h11,14-15H,3-10,12H2,1-2H3,(H,19,23)
InChIKeyUTVGTNDRBWWTDA-UHFFFAOYSA-N
XLogP2.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369876
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365969
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365986
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 95739732
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847159

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109365891) is 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is CCC1CCCCN1c1cc(C(=O)NCC2CCCO2)nc(C)n1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is UTVGTNDRBWWTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-14-7-4-5-9-22(14)17-11-16(20-13(2)21-17)18(23)19-12-15-8-6-10-24-15/h11,14-15H,3-10,12H2,1-2H3,(H,19,23).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).