N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide

C19H23N9O3 — CID 58548197

IUPACN-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCc1ncc(Nc2cncnc2)c(C(=O)Nc2cn(C)nc2C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C19H23N9O3/c1-11-22-7-13(25-12-5-20-10-21-6-12)15(24-11)18(30)26-14-8-28(4)27-16(14)17(29)23-9-19(2,3)31/h5-8,10,25,31H,9H2,1-4H3,(H,23,29)(H,26,30)
InChIKeyKWCDVICFNMSPTJ-UHFFFAOYSA-N
MW425.45 g/mol
LogP0.81
Rot. Bonds7

About N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide

N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (PubChem CID 58548197) has the molecular formula C19H23N9O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
PubChem CID58548197
Molecular FormulaC19H23N9O3
Molecular Weight425.45 g/mol
Exact Mass425.19
IUPAC NameN-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
SMILESCc1ncc(Nc2cncnc2)c(C(=O)Nc2cn(C)nc2C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C19H23N9O3/c1-11-22-7-13(25-12-5-20-10-21-6-12)15(24-11)18(30)26-14-8-28(4)27-16(14)17(29)23-9-19(2,3)31/h5-8,10,25,31H,9H2,1-4H3,(H,23,29)(H,26,30)
InChIKeyKWCDVICFNMSPTJ-UHFFFAOYSA-N
XLogP0.81
TPSA159.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide (CID 58548197) is N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is Cc1ncc(Nc2cncnc2)c(C(=O)Nc2cn(C)nc2C(=O)NCC(C)(C)O)n1.
What is the InChIKey of N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
The InChIKey is KWCDVICFNMSPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O3/c1-11-22-7-13(25-12-5-20-10-21-6-12)15(24-11)18(30)26-14-8-28(4)27-16(14)17(29)23-9-19(2,3)31/h5-8,10,25,31H,9H2,1-4H3,(H,23,29)(H,26,30).
What are the key properties of N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide?
N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 0.81, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 58548197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).