N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide

C17H27N5O3 — CID 109253348

IUPACN-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C17H27N5O3/c1-21(2)7-3-6-18-15(23)14-12-19-16(20-13-14)22-8-4-17(5-9-22)24-10-11-25-17/h12-13H,3-11H2,1-2H3,(H,18,23)
InChIKeyXUOIXOKBQOMBHL-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.50
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide

N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide (PubChem CID 109253348) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
PubChem CID109253348
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C17H27N5O3/c1-21(2)7-3-6-18-15(23)14-12-19-16(20-13-14)22-8-4-17(5-9-22)24-10-11-25-17/h12-13H,3-11H2,1-2H3,(H,18,23)
InChIKeyXUOIXOKBQOMBHL-UHFFFAOYSA-N
XLogP0.50
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide 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

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propylpyrimidine-5-carboxamide
CID 109246524
N-[3-(dimethylamino)propyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109207757
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260452
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261642
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261697
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254907
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258830
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253361
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
N-(4-tert-butylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261675
N-[2-(dimethylamino)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109083588
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide (CID 109253348) is N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide is CN(C)CCCNC(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The InChIKey is XUOIXOKBQOMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-21(2)7-3-6-18-15(23)14-12-19-16(20-13-14)22-8-4-17(5-9-22)24-10-11-25-17/h12-13H,3-11H2,1-2H3,(H,18,23).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).