6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione

C7H11N3O3 — CID 12876539

IUPAC6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione
SMILESCC(O)Cn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-4(11)3-10-5(8)2-6(12)9-7(10)13/h2,4,11H,3,8H2,1H3,(H,9,12,13)
InChIKeyWHEPPORDOVLOOT-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.50
Rot. Bonds2

About 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione

6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione (PubChem CID 12876539) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione
PubChem CID12876539
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione
SMILESCC(O)Cn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-4(11)3-10-5(8)2-6(12)9-7(10)13/h2,4,11H,3,8H2,1H3,(H,9,12,13)
InChIKeyWHEPPORDOVLOOT-UHFFFAOYSA-N
XLogP-1.50
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione (CID 12876539) is 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione is CC(O)Cn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione?
The InChIKey is WHEPPORDOVLOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4(11)3-10-5(8)2-6(12)9-7(10)13/h2,4,11H,3,8H2,1H3,(H,9,12,13).
What are the key properties of 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione?
6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione has a molecular weight of 185.18 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 12876539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).