N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H18N4O3 — CID 61231819

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H18N4O3/c1-17(9-4-7-2-3-8(5-9)14-7)12(19)10-6-11(18)16-13(20)15-10/h6-9,14H,2-5H2,1H3,(H2,15,16,18,20)
InChIKeyQPWDMHAYFCVLFT-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.58
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 61231819) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID61231819
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H18N4O3/c1-17(9-4-7-2-3-8(5-9)14-7)12(19)10-6-11(18)16-13(20)15-10/h6-9,14H,2-5H2,1H3,(H2,15,16,18,20)
InChIKeyQPWDMHAYFCVLFT-UHFFFAOYSA-N
XLogP-0.58
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide 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 N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 61231819) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is QPWDMHAYFCVLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-17(9-4-7-2-3-8(5-9)14-7)12(19)10-6-11(18)16-13(20)15-10/h6-9,14H,2-5H2,1H3,(H2,15,16,18,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 61231819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).