2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide

C19H21N9O2 — CID 54759839

IUPAC2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CCC3)ncc2Nc2cncnc2)cnn1C
InChIInChI=1S/C19H21N9O2/c1-20-19(30)16-14(9-24-28(16)2)26-18(29)15-13(25-12-6-21-10-22-7-12)8-23-17(27-15)11-4-3-5-11/h6-11,25H,3-5H2,1-2H3,(H,20,30)(H,26,29)
InChIKeyHXCOYJSOMNJNHR-UHFFFAOYSA-N
MW407.44 g/mol
LogP1.62
Rot. Bonds6

About 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide

2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (PubChem CID 54759839) has the molecular formula C19H21N9O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
PubChem CID54759839
Molecular FormulaC19H21N9O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CCC3)ncc2Nc2cncnc2)cnn1C
InChIInChI=1S/C19H21N9O2/c1-20-19(30)16-14(9-24-28(16)2)26-18(29)15-13(25-12-6-21-10-22-7-12)8-23-17(27-15)11-4-3-5-11/h6-11,25H,3-5H2,1-2H3,(H,20,30)(H,26,29)
InChIKeyHXCOYJSOMNJNHR-UHFFFAOYSA-N
XLogP1.62
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)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-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (CID 54759839) is 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is CNC(=O)c1c(NC(=O)c2nc(C3CCC3)ncc2Nc2cncnc2)cnn1C.
What is the InChIKey of 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The InChIKey is HXCOYJSOMNJNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O2/c1-20-19(30)16-14(9-24-28(16)2)26-18(29)15-13(25-12-6-21-10-22-7-12)8-23-17(27-15)11-4-3-5-11/h6-11,25H,3-5H2,1-2H3,(H,20,30)(H,26,29).
What are the key properties of 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 54759839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).