1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione

C13H17N5O2 — CID 127333633

IUPAC1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione
SMILESCn1c(CN2CCc3[nH]ncc3C2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H17N5O2/c1-16-10(5-12(19)17(2)13(16)20)8-18-4-3-11-9(7-18)6-14-15-11/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyDUJZBEXZVQCDDW-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.63
Rot. Bonds2

About 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione

1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione (PubChem CID 127333633) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione
PubChem CID127333633
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione
SMILESCn1c(CN2CCc3[nH]ncc3C2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H17N5O2/c1-16-10(5-12(19)17(2)13(16)20)8-18-4-3-11-9(7-18)6-14-15-11/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyDUJZBEXZVQCDDW-UHFFFAOYSA-N
XLogP-0.63
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione (CID 127333633) is 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione is Cn1c(CN2CCc3[nH]ncc3C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is DUJZBEXZVQCDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-16-10(5-12(19)17(2)13(16)20)8-18-4-3-11-9(7-18)6-14-15-11/h5-6H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione?
1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 127333633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).