2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one

C20H31N5O — CID 70715700

IUPAC2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCNc1ccnc(N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)n1
InChIInChI=1S/C20H31N5O/c1-2-21-17-9-12-22-19(23-17)24-13-5-10-20(14-24)11-8-18(26)25(15-20)16-6-3-4-7-16/h9,12,16H,2-8,10-11,13-15H2,1H3,(H,21,22,23)
InChIKeyGICVWHYKDQDZES-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.06
Rot. Bonds4

About 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70715700) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70715700
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCNc1ccnc(N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)n1
InChIInChI=1S/C20H31N5O/c1-2-21-17-9-12-22-19(23-17)24-13-5-10-20(14-24)11-8-18(26)25(15-20)16-6-3-4-7-16/h9,12,16H,2-8,10-11,13-15H2,1H3,(H,21,22,23)
InChIKeyGICVWHYKDQDZES-UHFFFAOYSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid
CID 70761968
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethylpyrimidin-4-amine
CID 50950844
2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351031
2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775884
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711030
2-acetyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70762306
2-cyclopentyl-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70771950
(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97133670
2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773216

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70715700) is 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one is CCNc1ccnc(N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)n1.
What is the InChIKey of 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GICVWHYKDQDZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-2-21-17-9-12-22-19(23-17)24-13-5-10-20(14-24)11-8-18(26)25(15-20)16-6-3-4-7-16/h9,12,16H,2-8,10-11,13-15H2,1H3,(H,21,22,23).
What are the key properties of 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70715700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).