N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C7H10N4O3 — CID 60965324

IUPACN-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNCCNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c8-1-2-9-5(12)4-3-10-7(14)11-6(4)13/h3H,1-2,8H2,(H,9,12)(H2,10,11,13,14)
InChIKeyLHZKNWYRNGAXNI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-2.25
Rot. Bonds3

About N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 60965324) 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-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID60965324
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNCCNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c8-1-2-9-5(12)4-3-10-7(14)11-6(4)13/h3H,1-2,8H2,(H,9,12)(H2,10,11,13,14)
InChIKeyLHZKNWYRNGAXNI-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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Related Compounds

3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62675489
N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 55100584
2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 43600278
N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64529437
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 115362805
N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 65034365
(E)-N-(2-aminoethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 59687244
N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61401037
5-(2-chloroacetyl)-1H-pyrimidine-2,4-dione
CID 45080865
N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43599993
N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61299281

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 60965324) is N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is NCCNC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LHZKNWYRNGAXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-1-2-9-5(12)4-3-10-7(14)11-6(4)13/h3H,1-2,8H2,(H,9,12)(H2,10,11,13,14).
What are the key properties of N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 60965324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).