2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C16H22N4O3 — CID 72869529

IUPAC2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2
InChIInChI=1S/C16H22N4O3/c1-2-19-10-16(4-3-13(19)21)5-7-20(8-6-16)15(23)12-9-17-11-18-14(12)22/h9,11H,2-8,10H2,1H3,(H,17,18,22)
InChIKeyHHAUKRVWAKXDLS-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.63
Rot. Bonds2

About 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72869529) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72869529
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2
InChIInChI=1S/C16H22N4O3/c1-2-19-10-16(4-3-13(19)21)5-7-20(8-6-16)15(23)12-9-17-11-18-14(12)22/h9,11H,2-8,10H2,1H3,(H,17,18,22)
InChIKeyHHAUKRVWAKXDLS-UHFFFAOYSA-N
XLogP0.63
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.63
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
8-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70736617
2-(Cyclopropylmethyl)-8-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70786023
2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one;methane
CID 157680862
5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 56918421
2-(3-Methoxypropyl)-8-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70708543
2-Cyclopentyl-8-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70709111
2-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
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-Ethyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72918710
2-(3-Methoxypropyl)-9-[(6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72933032

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72869529) is 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2.
What is the InChIKey of 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HHAUKRVWAKXDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-19-10-16(4-3-13(19)21)5-7-20(8-6-16)15(23)12-9-17-11-18-14(12)22/h9,11H,2-8,10H2,1H3,(H,17,18,22).
What are the key properties of 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.38 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72869529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).