methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate

C13H17N3O4 — CID 137498664

IUPACmethyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C13H17N3O4/c1-18-11(17)10-2-4-14-12(15-10)16-5-7-20-13(8-16)3-6-19-9-13/h2,4H,3,5-9H2,1H3
InChIKeyRKIAPAYNUZQFTE-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.26
Rot. Bonds2

About methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate

methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate (PubChem CID 137498664) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate
PubChem CID137498664
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C13H17N3O4/c1-18-11(17)10-2-4-14-12(15-10)16-5-7-20-13(8-16)3-6-19-9-13/h2,4H,3,5-9H2,1H3
InChIKeyRKIAPAYNUZQFTE-UHFFFAOYSA-N
XLogP0.26
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-piperazin-1-ylpyrimidine-4-carboxylate
CID 131596703
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916042
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrimidine-4-carboxylate
CID 135356845
methyl 6-amino-2-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]pyrimidine-4-carboxylate;dihydrochloride
CID 154920751
9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479114
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300469
N'-methoxy-N'-methyl-2-morpholin-4-ylpyrimidine-4-carbohydrazide
CID 87482379
1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
CID 170035961

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate (CID 137498664) is methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate is COC(=O)c1ccnc(N2CCOC3(CCOC3)C2)n1.
What is the InChIKey of methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate?
The InChIKey is RKIAPAYNUZQFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-18-11(17)10-2-4-14-12(15-10)16-5-7-20-13(8-16)3-6-19-9-13/h2,4H,3,5-9H2,1H3.
What are the key properties of methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate?
methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 137498664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).