N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C10H12N4O3 — CID 43594238

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1C2CNCC21)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O3/c15-8(6-3-12-10(17)14-9(6)16)13-7-4-1-11-2-5(4)7/h3-5,7,11H,1-2H2,(H,13,15)(H2,12,14,16,17)
InChIKeyMBYBQPKRVYSCAH-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.99
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 43594238) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID43594238
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1C2CNCC21)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O3/c15-8(6-3-12-10(17)14-9(6)16)13-7-4-1-11-2-5(4)7/h3-5,7,11H,1-2H2,(H,13,15)(H2,12,14,16,17)
InChIKeyMBYBQPKRVYSCAH-UHFFFAOYSA-N
XLogP-1.99
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 43594238) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NC1C2CNCC21)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is MBYBQPKRVYSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-8(6-3-12-10(17)14-9(6)16)13-7-4-1-11-2-5(4)7/h3-5,7,11H,1-2H2,(H,13,15)(H2,12,14,16,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 236.23 g/mol, XLogP of -1.99, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 43594238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).