2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

C13H19N3O3 — CID 91951855

IUPAC2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1c(CC(=O)NCC2CCCO2)ncn(C)c1=O
InChIInChI=1S/C13H19N3O3/c1-9-11(15-8-16(2)13(9)18)6-12(17)14-7-10-4-3-5-19-10/h8,10H,3-7H2,1-2H3,(H,14,17)
InChIKeyAVXLRABFRQSSCF-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.07
Rot. Bonds4

About 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 91951855) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID91951855
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1c(CC(=O)NCC2CCCO2)ncn(C)c1=O
InChIInChI=1S/C13H19N3O3/c1-9-11(15-8-16(2)13(9)18)6-12(17)14-7-10-4-3-5-19-10/h8,10H,3-7H2,1-2H3,(H,14,17)
InChIKeyAVXLRABFRQSSCF-UHFFFAOYSA-N
XLogP-0.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136240699
2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 45535189
N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide
CID 91951720
3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619780
3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619781
2-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619788
2-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619789
2-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619794
2-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619795
3-(Tetrahydro-furan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 102549247
2-Methyl-3-((tetrahydrofuran-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 102549248
2-Cyclopropyl-3-((tetrahydrofuran-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 102549249

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 91951855) is 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1c(CC(=O)NCC2CCCO2)ncn(C)c1=O.
What is the InChIKey of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is AVXLRABFRQSSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-11(15-8-16(2)13(9)18)6-12(17)14-7-10-4-3-5-19-10/h8,10H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 91951855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).