2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C15H21N3O3 — CID 72897684

IUPAC2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2COC3(CCCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-10-16-8-12(13(19)17-10)14(20)18-11-7-15(21-9-11)5-3-2-4-6-15/h8,11H,2-7,9H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyDSCWWHCVBWAIRZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.30
Rot. Bonds2

About 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72897684) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72897684
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2COC3(CCCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-10-16-8-12(13(19)17-10)14(20)18-11-7-15(21-9-11)5-3-2-4-6-15/h8,11H,2-7,9H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyDSCWWHCVBWAIRZ-UHFFFAOYSA-N
XLogP1.30
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116782635
6-methyl-N-1-oxaspiro[4.5]dec-3-yl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 118775695
6-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126436235
6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126436236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 72897684) is 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2COC3(CCCCC3)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DSCWWHCVBWAIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-16-8-12(13(19)17-10)14(20)18-11-7-15(21-9-11)5-3-2-4-6-15/h8,11H,2-7,9H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72897684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).