9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

C23H30N4O3 — CID 131681182

IUPAC9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1cc(OC)nc(N2CCCC3(CCC(=O)N3Cc3ccc(C)cc3)CC2)n1
InChIInChI=1S/C23H30N4O3/c1-17-5-7-18(8-6-17)16-27-21(28)9-11-23(27)10-4-13-26(14-12-23)22-24-19(29-2)15-20(25-22)30-3/h5-8,15H,4,9-14,16H2,1-3H3
InChIKeyCWAYZVAAVQFLIN-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.35
Rot. Bonds5

About 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131681182) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131681182
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1cc(OC)nc(N2CCCC3(CCC(=O)N3Cc3ccc(C)cc3)CC2)n1
InChIInChI=1S/C23H30N4O3/c1-17-5-7-18(8-6-17)16-27-21(28)9-11-23(27)10-4-13-26(14-12-23)22-24-19(29-2)15-20(25-22)30-3/h5-8,15H,4,9-14,16H2,1-3H3
InChIKeyCWAYZVAAVQFLIN-UHFFFAOYSA-N
XLogP3.35
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397069
(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681380
8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131685000
(6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97125821

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 131681182) is 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is COc1cc(OC)nc(N2CCCC3(CCC(=O)N3Cc3ccc(C)cc3)CC2)n1.
What is the InChIKey of 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is CWAYZVAAVQFLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-5-7-18(8-6-17)16-27-21(28)9-11-23(27)10-4-13-26(14-12-23)22-24-19(29-2)15-20(25-22)30-3/h5-8,15H,4,9-14,16H2,1-3H3.
What are the key properties of 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 410.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131681182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).