10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

C18H28N4O — CID 56710364

IUPAC10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCCCc1cnc(N2CCC3(CCC(=O)N(C)CC3)CC2)nc1
InChIInChI=1S/C18H28N4O/c1-3-4-15-13-19-17(20-14-15)22-11-8-18(9-12-22)6-5-16(23)21(2)10-7-18/h13-14H,3-12H2,1-2H3
InChIKeyGCUSZQPHIAARIT-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.66
Rot. Bonds3

About 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56710364) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56710364
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCCCc1cnc(N2CCC3(CCC(=O)N(C)CC3)CC2)nc1
InChIInChI=1S/C18H28N4O/c1-3-4-15-13-19-17(20-14-15)22-11-8-18(9-12-22)6-5-16(23)21(2)10-7-18/h13-14H,3-12H2,1-2H3
InChIKeyGCUSZQPHIAARIT-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-Methoxypyrimidin-5-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one
CID 56715748
3-{[2-(Propylamino)pyrimidin-5-yl]methyl}-3,9-diazaspiro[5.6]dodecan-10-one
CID 56718109
2-(3-Hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70707165
2-Cyclopentyl-8-(5-propyl-4-pyrimidinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756429
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
2-Cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70786979
N-[(2-amino-5-pyrimidinyl)methyl]-1-(cyclopentylcarbonyl)-N-methyl-4-piperidinecarboxamide
CID 72920830
3-[1-(5-Ethylpyrimidin-2-YL)piperidin-3-YL]propanamide
CID 72927654
2-Ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449700
2-(Cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449802
N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide
CID 162657491
4,4,4-Trifluoro-1-(4-pyrimidin-5-yl-1-piperidyl)butan-1-one
CID 137509106

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56710364) is 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is CCCc1cnc(N2CCC3(CCC(=O)N(C)CC3)CC2)nc1.
What is the InChIKey of 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is GCUSZQPHIAARIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-4-15-13-19-17(20-14-15)22-11-8-18(9-12-22)6-5-16(23)21(2)10-7-18/h13-14H,3-12H2,1-2H3.
What are the key properties of 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 316.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(5-propylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56710364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).