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

C14H21N3O3 — CID 91951720

IUPACN-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide
SMILESCc1c(CC(=O)NCC2CCCO2)nc(C)n(C)c1=O
InChIInChI=1S/C14H21N3O3/c1-9-12(16-10(2)17(3)14(9)19)7-13(18)15-8-11-5-4-6-20-11/h11H,4-8H2,1-3H3,(H,15,18)
InChIKeyRALJEAMIEKBVTB-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.23
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide (PubChem CID 91951720) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide
PubChem CID91951720
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide
SMILESCc1c(CC(=O)NCC2CCCO2)nc(C)n(C)c1=O
InChIInChI=1S/C14H21N3O3/c1-9-12(16-10(2)17(3)14(9)19)7-13(18)15-8-11-5-4-6-20-11/h11H,4-8H2,1-3H3,(H,15,18)
InChIKeyRALJEAMIEKBVTB-UHFFFAOYSA-N
XLogP0.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.23
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-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 91951855
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
3-(Oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483507

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide (CID 91951720) is N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide is Cc1c(CC(=O)NCC2CCCO2)nc(C)n(C)c1=O.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide?
The InChIKey is RALJEAMIEKBVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-12(16-10(2)17(3)14(9)19)7-13(18)15-8-11-5-4-6-20-11/h11H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 91951720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).