2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

C20H30N4O — CID 70742005

IUPAC2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(c3ncnc4c3CCC4)C2)CCC1=O
InChIInChI=1S/C20H30N4O/c1-2-3-11-23-13-20(10-8-18(23)25)9-5-12-24(14-20)19-16-6-4-7-17(16)21-15-22-19/h15H,2-14H2,1H3
InChIKeyIBNUWTKDTUMKKP-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.97
Rot. Bonds4

About 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70742005) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70742005
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(c3ncnc4c3CCC4)C2)CCC1=O
InChIInChI=1S/C20H30N4O/c1-2-3-11-23-13-20(10-8-18(23)25)9-5-12-24(14-20)19-16-6-4-7-17(16)21-15-22-19/h15H,2-14H2,1H3
InChIKeyIBNUWTKDTUMKKP-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70707876
(6R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132430
2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70739709
2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850496
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866660
2-[2-(1H-imidazol-5-yl)ethyl]-8-(7H-purin-6-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72852506
(6S)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121383
(6R)-2-butyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121384
2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715563
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115766

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70742005) is 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCN(c3ncnc4c3CCC4)C2)CCC1=O.
What is the InChIKey of 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is IBNUWTKDTUMKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-3-11-23-13-20(10-8-18(23)25)9-5-12-24(14-20)19-16-6-4-7-17(16)21-15-22-19/h15H,2-14H2,1H3.
What are the key properties of 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 342.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70742005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).