6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione

C8H12N2O4 — CID 10330397

IUPAC6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(O)CCO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-4-6(5(12)2-3-11)9-8(14)10-7(4)13/h5,11-12H,2-3H2,1H3,(H2,9,10,13,14)
InChIKeyOSKRHUOBDLDUDP-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.21
Rot. Bonds3

About 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione

6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 10330397) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID10330397
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(O)CCO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-4-6(5(12)2-3-11)9-8(14)10-7(4)13/h5,11-12H,2-3H2,1H3,(H2,9,10,13,14)
InChIKeyOSKRHUOBDLDUDP-UHFFFAOYSA-N
XLogP-1.21
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 10330397) is 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(C(O)CCO)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is OSKRHUOBDLDUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-4-6(5(12)2-3-11)9-8(14)10-7(4)13/h5,11-12H,2-3H2,1H3,(H2,9,10,13,14).
What are the key properties of 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 200.19 g/mol, XLogP of -1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10330397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).