1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione

C13H18N4O4 — CID 59448368

IUPAC1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione
SMILESCOC(CCn1cc(-c2cnn(C)c2)c(=O)[nH]c1=O)OC
InChIInChI=1S/C13H18N4O4/c1-16-7-9(6-14-16)10-8-17(13(19)15-12(10)18)5-4-11(20-2)21-3/h6-8,11H,4-5H2,1-3H3,(H,15,18,19)
InChIKeyJIKYVQJDCHFXEV-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.05
Rot. Bonds6

About 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione

1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione (PubChem CID 59448368) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione
PubChem CID59448368
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione
SMILESCOC(CCn1cc(-c2cnn(C)c2)c(=O)[nH]c1=O)OC
InChIInChI=1S/C13H18N4O4/c1-16-7-9(6-14-16)10-8-17(13(19)15-12(10)18)5-4-11(20-2)21-3/h6-8,11H,4-5H2,1-3H3,(H,15,18,19)
InChIKeyJIKYVQJDCHFXEV-UHFFFAOYSA-N
XLogP-0.05
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione (CID 59448368) is 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione is COC(CCn1cc(-c2cnn(C)c2)c(=O)[nH]c1=O)OC.
What is the InChIKey of 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione?
The InChIKey is JIKYVQJDCHFXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-16-7-9(6-14-16)10-8-17(13(19)15-12(10)18)5-4-11(20-2)21-3/h6-8,11H,4-5H2,1-3H3,(H,15,18,19).
What are the key properties of 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione?
1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethoxypropyl)-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 59448368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).