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

C18H19N9O2 — CID 58548270

IUPAC2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1nc(C2CC2)ncc1Nc1cncnc1
InChIInChI=1S/C18H19N9O2/c1-19-17(28)15-13(8-27(2)26-15)24-18(29)14-12(23-11-5-20-9-21-6-11)7-22-16(25-14)10-3-4-10/h5-10,23H,3-4H2,1-2H3,(H,19,28)(H,24,29)
InChIKeyFZTMGEQBGHFFCI-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.23
Rot. Bonds6

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

2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (PubChem CID 58548270) has the molecular formula C18H19N9O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
PubChem CID58548270
Molecular FormulaC18H19N9O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1nc(C2CC2)ncc1Nc1cncnc1
InChIInChI=1S/C18H19N9O2/c1-19-17(28)15-13(8-27(2)26-15)24-18(29)14-12(23-11-5-20-9-21-6-11)7-22-16(25-14)10-3-4-10/h5-10,23H,3-4H2,1-2H3,(H,19,28)(H,24,29)
InChIKeyFZTMGEQBGHFFCI-UHFFFAOYSA-N
XLogP1.23
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (CID 58548270) is 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1nc(C2CC2)ncc1Nc1cncnc1.
What is the InChIKey of 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The InChIKey is FZTMGEQBGHFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O2/c1-19-17(28)15-13(8-27(2)26-15)24-18(29)14-12(23-11-5-20-9-21-6-11)7-22-16(25-14)10-3-4-10/h5-10,23H,3-4H2,1-2H3,(H,19,28)(H,24,29).
What are the key properties of 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 58548270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).