2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

C14H20N4O2 — CID 136930699

IUPAC2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(CC(C)C)cc(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C14H20N4O2/c1-8(2)6-10-7-11(19)16-13(15-10)12-9(3)17-18(4)14(12)20-5/h7-8H,6H2,1-5H3,(H,15,16,19)
InChIKeyREJYLULRRMERCX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.69
Rot. Bonds4

About 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136930699) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136930699
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(CC(C)C)cc(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C14H20N4O2/c1-8(2)6-10-7-11(19)16-13(15-10)12-9(3)17-18(4)14(12)20-5/h7-8H,6H2,1-5H3,(H,15,16,19)
InChIKeyREJYLULRRMERCX-UHFFFAOYSA-N
XLogP1.69
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136930699) is 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is COc1c(-c2nc(CC(C)C)cc(=O)[nH]2)c(C)nn1C.
What is the InChIKey of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is REJYLULRRMERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-8(2)6-10-7-11(19)16-13(15-10)12-9(3)17-18(4)14(12)20-5/h7-8H,6H2,1-5H3,(H,15,16,19).
What are the key properties of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 276.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136930699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).