2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride

C7H13Cl2N3O2 — CID 71757360

IUPAC2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride
SMILESCC1C(=O)N=C(CCN)NC1=O.Cl.Cl
InChIInChI=1S/C7H11N3O2.2ClH/c1-4-6(11)9-5(2-3-8)10-7(4)12;;/h4H,2-3,8H2,1H3,(H,9,10,11,12);2*1H
InChIKeyRYDNPCAZOYQWTB-UHFFFAOYSA-N
MW242.11 g/mol
LogP-0.13
Rot. Bonds2

About 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride

2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride (PubChem CID 71757360) has the molecular formula C7H13Cl2N3O2 and a molecular weight of 242.11 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride
PubChem CID71757360
Molecular FormulaC7H13Cl2N3O2
Molecular Weight242.11 g/mol
Exact Mass241.04
IUPAC Name2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride
SMILESCC1C(=O)N=C(CCN)NC1=O.Cl.Cl
InChIInChI=1S/C7H11N3O2.2ClH/c1-4-6(11)9-5(2-3-8)10-7(4)12;;/h4H,2-3,8H2,1H3,(H,9,10,11,12);2*1H
InChIKeyRYDNPCAZOYQWTB-UHFFFAOYSA-N
XLogP-0.13
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride (CID 71757360) is 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride is CC1C(=O)N=C(CCN)NC1=O.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride?
The InChIKey is RYDNPCAZOYQWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.2ClH/c1-4-6(11)9-5(2-3-8)10-7(4)12;;/h4H,2-3,8H2,1H3,(H,9,10,11,12);2*1H.
What are the key properties of 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride?
2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride has a molecular weight of 242.11 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione;dihydrochloride is sourced from PubChem (CID 71757360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).