4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

C13H15N5O3 — CID 137049039

IUPAC4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ccc(C(=O)N3CCOCC3)n2)n1
InChIInChI=1S/C13H15N5O3/c1-9-8-11(19)15-13(14-9)18-3-2-10(16-18)12(20)17-4-6-21-7-5-17/h2-3,8H,4-7H2,1H3,(H,14,15,19)
InChIKeyTVRVQUVBFMBIDW-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.26
Rot. Bonds2

About 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 137049039) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID137049039
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ccc(C(=O)N3CCOCC3)n2)n1
InChIInChI=1S/C13H15N5O3/c1-9-8-11(19)15-13(14-9)18-3-2-10(16-18)12(20)17-4-6-21-7-5-17/h2-3,8H,4-7H2,1H3,(H,14,15,19)
InChIKeyTVRVQUVBFMBIDW-UHFFFAOYSA-N
XLogP-0.26
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (CID 137049039) is 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ccc(C(=O)N3CCOCC3)n2)n1.
What is the InChIKey of 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is TVRVQUVBFMBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9-8-11(19)15-13(14-9)18-3-2-10(16-18)12(20)17-4-6-21-7-5-17/h2-3,8H,4-7H2,1H3,(H,14,15,19).
What are the key properties of 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 289.30 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137049039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).