2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C12H17N3O3 — CID 136911219

IUPAC2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCO2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-7-10(12(17)15-8(2)14-7)11(16)13-6-9-4-3-5-18-9/h9H,3-6H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyBYJPELFYCVIONU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.30
Rot. Bonds3

About 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 136911219) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID136911219
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCO2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-7-10(12(17)15-8(2)14-7)11(16)13-6-9-4-3-5-18-9/h9H,3-6H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyBYJPELFYCVIONU-UHFFFAOYSA-N
XLogP0.30
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 110647654
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95976180
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 136538538
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663312
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 136911219) is 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCCO2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is BYJPELFYCVIONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-10(12(17)15-8(2)14-7)11(16)13-6-9-4-3-5-18-9/h9H,3-6H2,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136911219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).