7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C17H24N4O3 — CID 56751707

IUPAC7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-11(2)13-18-9-12(14(22)19-13)15(23)21-8-6-17(10-21)5-4-7-20(3)16(17)24/h9,11H,4-8,10H2,1-3H3,(H,18,19,22)
InChIKeyYRSXQLRTZGWYKY-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.98
Rot. Bonds2

About 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56751707) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56751707
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-11(2)13-18-9-12(14(22)19-13)15(23)21-8-6-17(10-21)5-4-7-20(3)16(17)24/h9,11H,4-8,10H2,1-3H3,(H,18,19,22)
InChIKeyYRSXQLRTZGWYKY-UHFFFAOYSA-N
XLogP0.98
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96375489
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
8-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70736617
2-[(4-Hydroxy-2-methylpyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72874914
5-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-2-isopropylpyrimidin-4(3H)-one
CID 56720872
2-methyl-5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 70716004
2-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
2-(Cyclopropylmethyl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70758504
2-(3-Methyl-2-buten-1-yl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72864883
7-(2-Methoxyethyl)-2-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72868624
7-Cyclohexyl-2-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72883718
2-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 72910811

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 56751707) is 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)c1ncc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c(=O)[nH]1.
What is the InChIKey of 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YRSXQLRTZGWYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)13-18-9-12(14(22)19-13)15(23)21-8-6-17(10-21)5-4-7-20(3)16(17)24/h9,11H,4-8,10H2,1-3H3,(H,18,19,22).
What are the key properties of 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.40 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56751707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).