2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C20H31N5O — CID 70773909

IUPAC2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(C)C3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H31N5O/c1-16-14-17(22-19(21-16)25-10-4-3-5-11-25)24-12-8-20(9-13-24)7-6-18(26)23(2)15-20/h14H,3-13,15H2,1-2H3
InChIKeyCOYVBDACNMUHME-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.61
Rot. Bonds2

About 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70773909) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70773909
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(C)C3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H31N5O/c1-16-14-17(22-19(21-16)25-10-4-3-5-11-25)24-12-8-20(9-13-24)7-6-18(26)23(2)15-20/h14H,3-13,15H2,1-2H3
InChIKeyCOYVBDACNMUHME-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl(4-(6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 53047578
2-Allyl-9-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70710344
2-(Cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70710773
2-(2-Hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70732116
2-(3-Hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70733151
9-(2-Amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756233
2-(Cyclopropylmethyl)-9-(6-isopropyl-2-methylpyrimidin-4-YL)-2,9-diazaspiro[5.5]undecan-3-one
CID 70757697
2-(2-Methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70763270
2-Cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70771390
9-[2-(Dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773058
2-(Cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70775298
2-[9-(6-Methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]acetamide
CID 70783821

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70773909) is 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(C)C3)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is COYVBDACNMUHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-16-14-17(22-19(21-16)25-10-4-3-5-11-25)24-12-8-20(9-13-24)7-6-18(26)23(2)15-20/h14H,3-13,15H2,1-2H3.
What are the key properties of 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.50 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70773909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).