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

C19H28N4O — CID 56873721

IUPAC3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCc1cc(C2CCC2)nc(N2CCC3(CCNC(=O)CC3)CC2)n1
InChIInChI=1S/C19H28N4O/c1-14-13-16(15-3-2-4-15)22-18(21-14)23-11-8-19(9-12-23)6-5-17(24)20-10-7-19/h13,15H,2-12H2,1H3,(H,20,24)
InChIKeyMCPVBWYCBPTGOJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.94
Rot. Bonds2

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

3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56873721) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56873721
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCc1cc(C2CCC2)nc(N2CCC3(CCNC(=O)CC3)CC2)n1
InChIInChI=1S/C19H28N4O/c1-14-13-16(15-3-2-4-15)22-18(21-14)23-11-8-19(9-12-23)6-5-17(24)20-10-7-19/h13,15H,2-12H2,1H3,(H,20,24)
InChIKeyMCPVBWYCBPTGOJ-UHFFFAOYSA-N
XLogP2.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56873721) is 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is Cc1cc(C2CCC2)nc(N2CCC3(CCNC(=O)CC3)CC2)n1.
What is the InChIKey of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is MCPVBWYCBPTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-13-16(15-3-2-4-15)22-18(21-14)23-11-8-19(9-12-23)6-5-17(24)20-10-7-19/h13,15H,2-12H2,1H3,(H,20,24).
What are the key properties of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 328.46 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56873721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).