1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione

C7H10N2O4 — CID 574509

IUPAC1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(C(CO)CO)c(=O)[nH]1
InChIInChI=1S/C7H10N2O4/c10-3-5(4-11)9-2-1-6(12)8-7(9)13/h1-2,5,10-11H,3-4H2,(H,8,12,13)
InChIKeyACSDBZFQEPIONY-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.94
Rot. Bonds3

About 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione

1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione (PubChem CID 574509) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione
PubChem CID574509
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(C(CO)CO)c(=O)[nH]1
InChIInChI=1S/C7H10N2O4/c10-3-5(4-11)9-2-1-6(12)8-7(9)13/h1-2,5,10-11H,3-4H2,(H,8,12,13)
InChIKeyACSDBZFQEPIONY-UHFFFAOYSA-N
XLogP-1.94
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione (CID 574509) is 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione is O=c1ccn(C(CO)CO)c(=O)[nH]1.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione?
The InChIKey is ACSDBZFQEPIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-3-5(4-11)9-2-1-6(12)8-7(9)13/h1-2,5,10-11H,3-4H2,(H,8,12,13).
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione?
1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione has a molecular weight of 186.17 g/mol, XLogP of -1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 574509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).