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

C7H10N4O3 — CID 60966285

IUPACN-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H10N4O3/c8-1-2-9-6(13)4-3-5(12)11-7(14)10-4/h3H,1-2,8H2,(H,9,13)(H2,10,11,12,14)
InChIKeyBJVTZZIYFRFPKQ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-2.25
Rot. Bonds3

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

N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 60966285) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID60966285
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H10N4O3/c8-1-2-9-6(13)4-3-5(12)11-7(14)10-4/h3H,1-2,8H2,(H,9,13)(H2,10,11,12,14)
InChIKeyBJVTZZIYFRFPKQ-UHFFFAOYSA-N
XLogP-2.25
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 60966285) is N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is NCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is BJVTZZIYFRFPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-1-2-9-6(13)4-3-5(12)11-7(14)10-4/h3H,1-2,8H2,(H,9,13)(H2,10,11,12,14).
What are the key properties of N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 198.18 g/mol, XLogP of -2.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 60966285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).