2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide

C15H20N6O — CID 138023018

IUPAC2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1cc(NCC(=O)Nc2ccn(C)n2)nc(C2CCC2)n1
InChIInChI=1S/C15H20N6O/c1-10-8-13(19-15(17-10)11-4-3-5-11)16-9-14(22)18-12-6-7-21(2)20-12/h6-8,11H,3-5,9H2,1-2H3,(H,16,17,19)(H,18,20,22)
InChIKeyULURISCSPQXKRB-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.84
Rot. Bonds5

About 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide

2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 138023018) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID138023018
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1cc(NCC(=O)Nc2ccn(C)n2)nc(C2CCC2)n1
InChIInChI=1S/C15H20N6O/c1-10-8-13(19-15(17-10)11-4-3-5-11)16-9-14(22)18-12-6-7-21(2)20-12/h6-8,11H,3-5,9H2,1-2H3,(H,16,17,19)(H,18,20,22)
InChIKeyULURISCSPQXKRB-UHFFFAOYSA-N
XLogP1.84
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide (CID 138023018) is 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide is Cc1cc(NCC(=O)Nc2ccn(C)n2)nc(C2CCC2)n1.
What is the InChIKey of 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is ULURISCSPQXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-8-13(19-15(17-10)11-4-3-5-11)16-9-14(22)18-12-6-7-21(2)20-12/h6-8,11H,3-5,9H2,1-2H3,(H,16,17,19)(H,18,20,22).
What are the key properties of 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 300.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 138023018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).