2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one

C13H17N5O2 — CID 110259007

IUPAC2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one
SMILESCc1cc(N2CCOC(c3cc(=O)n(C)[nH]3)C2)ncn1
InChIInChI=1S/C13H17N5O2/c1-9-5-12(15-8-14-9)18-3-4-20-11(7-18)10-6-13(19)17(2)16-10/h5-6,8,11,16H,3-4,7H2,1-2H3
InChIKeyNQBGLIKYTYDVHW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.39
Rot. Bonds2

About 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one

2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one (PubChem CID 110259007) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one
PubChem CID110259007
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one
SMILESCc1cc(N2CCOC(c3cc(=O)n(C)[nH]3)C2)ncn1
InChIInChI=1S/C13H17N5O2/c1-9-5-12(15-8-14-9)18-3-4-20-11(7-18)10-6-13(19)17(2)16-10/h5-6,8,11,16H,3-4,7H2,1-2H3
InChIKeyNQBGLIKYTYDVHW-UHFFFAOYSA-N
XLogP0.39
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine
CID 95841720
N,N-dimethyl-4-[(2R)-4-(6-methylpyrimidin-4-yl)morpholin-2-yl]pyrimidin-2-amine
CID 95826874
2-methyl-5-[4-(2-phenylacetyl)morpholin-2-yl]-1H-pyrazol-3-one
CID 110258879
4-methyl-6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pyrimidine
CID 95842094
1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
CID 133464320
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 164694842
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
CID 126858195
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 95841714
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one (CID 110259007) is 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one is Cc1cc(N2CCOC(c3cc(=O)n(C)[nH]3)C2)ncn1.
What is the InChIKey of 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one?
The InChIKey is NQBGLIKYTYDVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-5-12(15-8-14-9)18-3-4-20-11(7-18)10-6-13(19)17(2)16-10/h5-6,8,11,16H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one?
2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one has a molecular weight of 275.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(6-methylpyrimidin-4-yl)morpholin-2-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 110259007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).