5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one

C12H15N5O2 — CID 66490356

IUPAC5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one
SMILESCc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH][nH]1
InChIInChI=1S/C12H15N5O2/c1-8-9(10-6-11(18)16-15-10)7-13-12(14-8)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H2,15,16,18)
InChIKeyZLJYWJKGSPBHEG-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.31
Rot. Bonds2

About 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one

5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one (PubChem CID 66490356) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one
PubChem CID66490356
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one
SMILESCc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH][nH]1
InChIInChI=1S/C12H15N5O2/c1-8-9(10-6-11(18)16-15-10)7-13-12(14-8)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H2,15,16,18)
InChIKeyZLJYWJKGSPBHEG-UHFFFAOYSA-N
XLogP0.31
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504653
4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
CID 174507871
2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649558
(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
CID 130120199
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649578
2-(4,6-dimethylpyrimidin-2-yl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504353
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
6,8-dimethyl-2-morpholin-4-ylpteridin-7-one
CID 3234245
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
2-(3,5-difluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504404

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one (CID 66490356) is 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one is Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one?
The InChIKey is ZLJYWJKGSPBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-9(10-6-11(18)16-15-10)7-13-12(14-8)17-2-4-19-5-3-17/h6-7H,2-5H2,1H3,(H2,15,16,18).
What are the key properties of 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one?
5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one has a molecular weight of 261.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 66490356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).