2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one

C18H24N4O3 — CID 72910811

IUPAC2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCCC2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1=O
InChIInChI=1S/C18H24N4O3/c1-2-21-8-3-6-18(17(21)25)7-9-22(11-18)16(24)13-10-19-14(12-4-5-12)20-15(13)23/h10,12H,2-9,11H2,1H3,(H,19,20,23)
InChIKeyVQYQXDHTSGUMPX-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.12
Rot. Bonds3

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

2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72910811) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72910811
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCCC2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1=O
InChIInChI=1S/C18H24N4O3/c1-2-21-8-3-6-18(17(21)25)7-9-22(11-18)16(24)13-10-19-14(12-4-5-12)20-15(13)23/h10,12H,2-9,11H2,1H3,(H,19,20,23)
InChIKeyVQYQXDHTSGUMPX-UHFFFAOYSA-N
XLogP1.12
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-Isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56751707
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
7-(Cyclopropylmethyl)-2-[(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 136266208
5-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-2-isopropylpyrimidin-4(3H)-one
CID 56720872
2-cyclopropyl-5-{[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 56902648
2-methyl-5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 70716004
2-Cyclopropyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727533
2-(Cyclopropylmethyl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70758504
2-cyclopropyl-5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-4(3H)-pyrimidinone
CID 70777499
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one (CID 72910811) is 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one is CCN1CCCC2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1=O.
What is the InChIKey of 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VQYQXDHTSGUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-21-8-3-6-18(17(21)25)7-9-22(11-18)16(24)13-10-19-14(12-4-5-12)20-15(13)23/h10,12H,2-9,11H2,1H3,(H,19,20,23).
What are the key properties of 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72910811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).