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

C19H23N9O2 — CID 54760943

IUPACN-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(CC(C)C)ncc2Nc2cncnc2)cnn1C
InChIInChI=1S/C19H23N9O2/c1-11(2)5-15-23-8-13(25-12-6-21-10-22-7-12)16(27-15)18(29)26-14-9-24-28(4)17(14)19(30)20-3/h6-11,25H,5H2,1-4H3,(H,20,30)(H,26,29)
InChIKeyZNRCWSKIIMIJIB-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.55
Rot. Bonds7

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

N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (PubChem CID 54760943) has the molecular formula C19H23N9O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
PubChem CID54760943
Molecular FormulaC19H23N9O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC NameN-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(CC(C)C)ncc2Nc2cncnc2)cnn1C
InChIInChI=1S/C19H23N9O2/c1-11(2)5-15-23-8-13(25-12-6-21-10-22-7-12)16(27-15)18(29)26-14-9-24-28(4)17(14)19(30)20-3/h6-11,25H,5H2,1-4H3,(H,20,30)(H,26,29)
InChIKeyZNRCWSKIIMIJIB-UHFFFAOYSA-N
XLogP1.55
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (CID 54760943) is N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is CNC(=O)c1c(NC(=O)c2nc(CC(C)C)ncc2Nc2cncnc2)cnn1C.
What is the InChIKey of N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The InChIKey is ZNRCWSKIIMIJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O2/c1-11(2)5-15-23-8-13(25-12-6-21-10-22-7-12)16(27-15)18(29)26-14-9-24-28(4)17(14)19(30)20-3/h6-11,25H,5H2,1-4H3,(H,20,30)(H,26,29).
What are the key properties of N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 54760943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).