6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione

C10H13N5O2 — CID 28994143

IUPAC6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1CCCn1ccnc1
InChIInChI=1S/C10H13N5O2/c11-8-6-9(16)13-10(17)15(8)4-1-3-14-5-2-12-7-14/h2,5-7H,1,3-4,11H2,(H,13,16,17)
InChIKeyKEDKNLHNGMPCAG-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.59
Rot. Bonds4

About 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione

6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione (PubChem CID 28994143) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
PubChem CID28994143
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1CCCn1ccnc1
InChIInChI=1S/C10H13N5O2/c11-8-6-9(16)13-10(17)15(8)4-1-3-14-5-2-12-7-14/h2,5-7H,1,3-4,11H2,(H,13,16,17)
InChIKeyKEDKNLHNGMPCAG-UHFFFAOYSA-N
XLogP-0.59
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-2-one
CID 110491439
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
4-amino-2-(2-imidazol-1-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 135967603
3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one
CID 103125486
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91334612
5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91352656
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90896095
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973860
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
1-(3-imidazol-1-ylpropyl)imidazo[4,5-c]pyridin-2-amine
CID 79295607

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione (CID 28994143) is 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1CCCn1ccnc1.
What is the InChIKey of 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione?
The InChIKey is KEDKNLHNGMPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-8-6-9(16)13-10(17)15(8)4-1-3-14-5-2-12-7-14/h2,5-7H,1,3-4,11H2,(H,13,16,17).
What are the key properties of 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione?
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione has a molecular weight of 235.25 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 28994143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).