2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide

C13H17N5O3 — CID 28909699

IUPAC2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCc2cnn(C)c2)nc(OC)n1
InChIInChI=1S/C13H17N5O3/c1-18-8-9(7-15-18)4-5-14-12(19)10-6-11(20-2)17-13(16-10)21-3/h6-8H,4-5H2,1-3H3,(H,14,19)
InChIKeyUIWGTECWUDYMKP-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.20
Rot. Bonds6

About 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide

2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 28909699) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID28909699
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCc2cnn(C)c2)nc(OC)n1
InChIInChI=1S/C13H17N5O3/c1-18-8-9(7-15-18)4-5-14-12(19)10-6-11(20-2)17-13(16-10)21-3/h6-8H,4-5H2,1-3H3,(H,14,19)
InChIKeyUIWGTECWUDYMKP-UHFFFAOYSA-N
XLogP0.20
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide 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 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide (CID 28909699) is 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NCCc2cnn(C)c2)nc(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is UIWGTECWUDYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-18-8-9(7-15-18)4-5-14-12(19)10-6-11(20-2)17-13(16-10)21-3/h6-8H,4-5H2,1-3H3,(H,14,19).
What are the key properties of 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide?
2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 28909699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).