2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C12H17N3O2 — CID 110849464

IUPAC2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)nc(C)n1
InChIInChI=1S/C12H17N3O2/c1-8-6-11(15-9(2)14-8)12(16)13-7-10-4-3-5-17-10/h6,10H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyGRUAWUBHOFSUNF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.00
Rot. Bonds3

About 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 110849464) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID110849464
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)nc(C)n1
InChIInChI=1S/C12H17N3O2/c1-8-6-11(15-9(2)14-8)12(16)13-7-10-4-3-5-17-10/h6,10H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyGRUAWUBHOFSUNF-UHFFFAOYSA-N
XLogP1.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 95739732
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365986
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556
6-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324688
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324696
6-methyl-N-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109324709
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365891
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
2-(2-chloro-4,6-dimethylanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324782

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 110849464) is 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2CCCO2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is GRUAWUBHOFSUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-11(15-9(2)14-8)12(16)13-7-10-4-3-5-17-10/h6,10H,3-5,7H2,1-2H3,(H,13,16).
What are the key properties of 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 110849464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).