N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide

C15H16N6O — CID 138041314

IUPACN-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3n[nH]nc3c2)c(C(C)C)n1
InChIInChI=1S/C15H16N6O/c1-8(2)14-11(7-16-9(3)17-14)15(22)18-10-4-5-12-13(6-10)20-21-19-12/h4-8H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyYETXKGQLCQXSDS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.43
Rot. Bonds3

About N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide

N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 138041314) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID138041314
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3n[nH]nc3c2)c(C(C)C)n1
InChIInChI=1S/C15H16N6O/c1-8(2)14-11(7-16-9(3)17-14)15(22)18-10-4-5-12-13(6-10)20-21-19-12/h4-8H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyYETXKGQLCQXSDS-UHFFFAOYSA-N
XLogP2.43
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide (CID 138041314) is N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc3n[nH]nc3c2)c(C(C)C)n1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is YETXKGQLCQXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-8(2)14-11(7-16-9(3)17-14)15(22)18-10-4-5-12-13(6-10)20-21-19-12/h4-8H,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 138041314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).