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

C12H16N4O3 — CID 61237362

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H16N4O3/c17-10-5-9(15-12(19)16-10)11(18)14-8-3-6-1-2-7(4-8)13-6/h5-8,13H,1-4H2,(H,14,18)(H2,15,16,17,19)
InChIKeyWCXHNQRQOXUZOL-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.92
Rot. Bonds2

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 61237362) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID61237362
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H16N4O3/c17-10-5-9(15-12(19)16-10)11(18)14-8-3-6-1-2-7(4-8)13-6/h5-8,13H,1-4H2,(H,14,18)(H2,15,16,17,19)
InChIKeyWCXHNQRQOXUZOL-UHFFFAOYSA-N
XLogP-0.92
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
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)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 61237362) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NC1CC2CCC(C1)N2)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is WCXHNQRQOXUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-10-5-9(15-12(19)16-10)11(18)14-8-3-6-1-2-7(4-8)13-6/h5-8,13H,1-4H2,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.92, 2 rotatable bonds, 4 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)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 61237362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).