N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide

C18H21N9O2 — CID 54761467

IUPACN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1nc(C(C)C)ncc1Nc1cncnc1
InChIInChI=1S/C18H21N9O2/c1-10(2)16-22-7-12(23-11-5-20-9-21-6-11)14(25-16)18(29)24-13-8-27(4)26-15(13)17(28)19-3/h5-10,23H,1-4H3,(H,19,28)(H,24,29)
InChIKeyCGAMOVRUWMWIRP-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.48
Rot. Bonds6

About N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide

N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (PubChem CID 54761467) has the molecular formula C18H21N9O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
PubChem CID54761467
Molecular FormulaC18H21N9O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1nc(C(C)C)ncc1Nc1cncnc1
InChIInChI=1S/C18H21N9O2/c1-10(2)16-22-7-12(23-11-5-20-9-21-6-11)14(25-16)18(29)24-13-8-27(4)26-15(13)17(28)19-3/h5-10,23H,1-4H3,(H,19,28)(H,24,29)
InChIKeyCGAMOVRUWMWIRP-UHFFFAOYSA-N
XLogP1.48
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (CID 54761467) is N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1nc(C(C)C)ncc1Nc1cncnc1.
What is the InChIKey of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The InChIKey is CGAMOVRUWMWIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O2/c1-10(2)16-22-7-12(23-11-5-20-9-21-6-11)14(25-16)18(29)24-13-8-27(4)26-15(13)17(28)19-3/h5-10,23H,1-4H3,(H,19,28)(H,24,29).
What are the key properties of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 54761467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).