8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C18H28N4O2 — CID 112910906

IUPAC8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(N2CCC3(CC2)OCCO3)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-14-3-7-22(8-4-14)17-19-15(2)13-16(20-17)21-9-5-18(6-10-21)23-11-12-24-18/h13-14H,3-12H2,1-2H3
InChIKeyLBHWBOUEDNLUFO-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.36
Rot. Bonds2

About 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112910906) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112910906
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(N2CCC3(CC2)OCCO3)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-14-3-7-22(8-4-14)17-19-15(2)13-16(20-17)21-9-5-18(6-10-21)23-11-12-24-18/h13-14H,3-12H2,1-2H3
InChIKeyLBHWBOUEDNLUFO-UHFFFAOYSA-N
XLogP2.36
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane 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

8-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910200
8-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112934777
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
8-[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112922838
4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112910918
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364296
4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
CID 84588620
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine
CID 112922847
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
CID 114768261

Frequently Asked Questions

What is the IUPAC name of 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 112910906) is 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cc(N2CCC3(CC2)OCCO3)nc(N2CCC(C)CC2)n1.
What is the InChIKey of 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LBHWBOUEDNLUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-3-7-22(8-4-14)17-19-15(2)13-16(20-17)21-9-5-18(6-10-21)23-11-12-24-18/h13-14H,3-12H2,1-2H3.
What are the key properties of 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 332.45 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112910906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).