8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one

C23H31N5O — CID 130201567

IUPAC8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCCN1C(=O)N(c2cncnc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C23H31N5O/c1-4-14-28-21(29)27(20-15-24-18-25-16-20)17-22(28)10-12-23(13-11-22,26(2)3)19-8-6-5-7-9-19/h5-9,15-16,18H,4,10-14,17H2,1-3H3
InChIKeyIEJCQKARZXJQTG-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.90
Rot. Bonds5

About 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201567) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201567
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCCN1C(=O)N(c2cncnc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C23H31N5O/c1-4-14-28-21(29)27(20-15-24-18-25-16-20)17-22(28)10-12-23(13-11-22,26(2)3)19-8-6-5-7-9-19/h5-9,15-16,18H,4,10-14,17H2,1-3H3
InChIKeyIEJCQKARZXJQTG-UHFFFAOYSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(dimethylamino)-2-oxo-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;hydrochloride
CID 130200787
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201304
5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 130201407
1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202950
2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 130201351
8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200622
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201202
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130220323
5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 130201248
8-(dimethylamino)-1-(3-hydroxy-3-methylbutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202404
8-(dimethylamino)-1-(3-hydroxypropyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202565
8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159224014

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one (CID 130201567) is 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one is CCCN1C(=O)N(c2cncnc2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is IEJCQKARZXJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-4-14-28-21(29)27(20-15-24-18-25-16-20)17-22(28)10-12-23(13-11-22,26(2)3)19-8-6-5-7-9-19/h5-9,15-16,18H,4,10-14,17H2,1-3H3.
What are the key properties of 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 393.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).