3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

C16H24N4O3 — CID 56708447

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(OC)nc(N2CCC3(CCNC(=O)CC3)CC2)n1
InChIInChI=1S/C16H24N4O3/c1-22-13-11-14(23-2)19-15(18-13)20-9-6-16(7-10-20)4-3-12(21)17-8-5-16/h11H,3-10H2,1-2H3,(H,17,21)
InChIKeyIHKMPTBKIMOQHH-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.38
Rot. Bonds3

About 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56708447) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56708447
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(OC)nc(N2CCC3(CCNC(=O)CC3)CC2)n1
InChIInChI=1S/C16H24N4O3/c1-22-13-11-14(23-2)19-15(18-13)20-9-6-16(7-10-20)4-3-12(21)17-8-5-16/h11H,3-10H2,1-2H3,(H,17,21)
InChIKeyIHKMPTBKIMOQHH-UHFFFAOYSA-N
XLogP1.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Dimethoxy-2-pyrimidinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 70751856
(6S)-4-(2,6-dimethoxypyrimidin-4-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97207038
N-{[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl}-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131942741
(5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 129546061
(5R)-9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 129546062
9-(4,6-Dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681494
N-(2,2-difluoroethyl)-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 177802711
4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 3291918
1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 4114157
1-[4-(4,6-Dimethoxypyrimidin-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 4141188
N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 4152220
4-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidine-1-carboxamide
CID 4651393

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56708447) is 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is COc1cc(OC)nc(N2CCC3(CCNC(=O)CC3)CC2)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is IHKMPTBKIMOQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-22-13-11-14(23-2)19-15(18-13)20-9-6-16(7-10-20)4-3-12(21)17-8-5-16/h11H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 320.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56708447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).