N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide

C14H19N5O2 — CID 135551469

IUPACN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)C)n(-c2nc(C)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C14H19N5O2/c1-7(2)12(20)16-11-6-8(3)18-19(11)14-15-10(5)9(4)13(21)17-14/h6-7H,1-5H3,(H,16,20)(H,15,17,21)
InChIKeyDBMKDLSTXLKFRH-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.48
Rot. Bonds3

About N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide

N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide (PubChem CID 135551469) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
PubChem CID135551469
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)C)n(-c2nc(C)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C14H19N5O2/c1-7(2)12(20)16-11-6-8(3)18-19(11)14-15-10(5)9(4)13(21)17-14/h6-7H,1-5H3,(H,16,20)(H,15,17,21)
InChIKeyDBMKDLSTXLKFRH-UHFFFAOYSA-N
XLogP1.48
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide (CID 135551469) is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide is Cc1cc(NC(=O)C(C)C)n(-c2nc(C)c(C)c(=O)[nH]2)n1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide?
The InChIKey is DBMKDLSTXLKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-7(2)12(20)16-11-6-8(3)18-19(11)14-15-10(5)9(4)13(21)17-14/h6-7H,1-5H3,(H,16,20)(H,15,17,21).
What are the key properties of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide?
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide has a molecular weight of 289.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 135551469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).