N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C9H12N4O3 — CID 43594982

IUPACN-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNC1CC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C9H12N4O3/c10-4-1-5(2-4)11-8(15)6-3-7(14)13-9(16)12-6/h3-5H,1-2,10H2,(H,11,15)(H2,12,13,14,16)
InChIKeyYJWQBAPKTJNSOC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.72
Rot. Bonds2

About N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 43594982) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID43594982
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNC1CC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C9H12N4O3/c10-4-1-5(2-4)11-8(15)6-3-7(14)13-9(16)12-6/h3-5H,1-2,10H2,(H,11,15)(H2,12,13,14,16)
InChIKeyYJWQBAPKTJNSOC-UHFFFAOYSA-N
XLogP-1.72
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 43594982) is N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is NC1CC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is YJWQBAPKTJNSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-4-1-5(2-4)11-8(15)6-3-7(14)13-9(16)12-6/h3-5H,1-2,10H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -1.72, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43594982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).