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

C14H20N4O3 — CID 61232850

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H20N4O3/c1-2-18(10-5-8-3-4-9(6-10)15-8)13(20)11-7-12(19)17-14(21)16-11/h7-10,15H,2-6H2,1H3,(H2,16,17,19,21)
InChIKeyBNUPWOJRPANTIV-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.19
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 61232850) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID61232850
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H20N4O3/c1-2-18(10-5-8-3-4-9(6-10)15-8)13(20)11-7-12(19)17-14(21)16-11/h7-10,15H,2-6H2,1H3,(H2,16,17,19,21)
InChIKeyBNUPWOJRPANTIV-UHFFFAOYSA-N
XLogP-0.19
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 61232850) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCN(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-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is BNUPWOJRPANTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-18(10-5-8-3-4-9(6-10)15-8)13(20)11-7-12(19)17-14(21)16-11/h7-10,15H,2-6H2,1H3,(H2,16,17,19,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.19, 3 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-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 61232850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).