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

C17H24N4O4 — CID 56722831

IUPAC3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)nc(OC)n1
InChIInChI=1S/C17H24N4O4/c1-24-14-11-12(19-16(20-14)25-2)15(23)21-9-6-17(7-10-21)4-3-13(22)18-8-5-17/h11H,3-10H2,1-2H3,(H,18,22)
InChIKeyALFVHNCBQHIBKX-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.02
Rot. Bonds3

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

3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56722831) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56722831
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)nc(OC)n1
InChIInChI=1S/C17H24N4O4/c1-24-14-11-12(19-16(20-14)25-2)15(23)21-9-6-17(7-10-21)4-3-13(22)18-8-5-17/h11H,3-10H2,1-2H3,(H,18,22)
InChIKeyALFVHNCBQHIBKX-UHFFFAOYSA-N
XLogP1.02
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
CID 91628503
2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide
CID 95229551
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565230
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280
6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 164636605
(6-Methoxy-2-piperazin-1-ylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 177658229
N-(cyclopropylmethyl)-6-methoxy-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177658681
6-methoxy-N,N-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177659737
methyl (2R)-2-[(6-methoxy-2-piperazin-1-ylpyrimidine-4-carbonyl)amino]propanoate
CID 177660075
(2S)-2-[(6-methoxy-2-piperazin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 177662161
N-(2-hydroxyethyl)-6-methoxy-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177664241

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56722831) is 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one is COc1cc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)nc(OC)n1.
What is the InChIKey of 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is ALFVHNCBQHIBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-24-14-11-12(19-16(20-14)25-2)15(23)21-9-6-17(7-10-21)4-3-13(22)18-8-5-17/h11H,3-10H2,1-2H3,(H,18,22).
What are the key properties of 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 348.40 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxypyrimidine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56722831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).