(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone

C16H21N5O2 — CID 124990802

IUPAC(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESCc1cc(C)nc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1
InChIInChI=1S/C16H21N5O2/c1-10-7-11(2)18-15(17-10)14-9-21(5-6-23-14)16(22)13-8-20(4)19-12(13)3/h7-8,14H,5-6,9H2,1-4H3/t14-/m0/s1
InChIKeyPEKUFJWCILMTOL-AWEZNQCLSA-N
MW315.38 g/mol
LogP1.35
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone (PubChem CID 124990802) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
PubChem CID124990802
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESCc1cc(C)nc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1
InChIInChI=1S/C16H21N5O2/c1-10-7-11(2)18-15(17-10)14-9-21(5-6-23-14)16(22)13-8-20(4)19-12(13)3/h7-8,14H,5-6,9H2,1-4H3/t14-/m0/s1
InChIKeyPEKUFJWCILMTOL-AWEZNQCLSA-N
XLogP1.35
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115620
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110115566
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124971089
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124972759
(1,3-dimethylpyrazol-4-yl)-[(2R)-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholin-4-yl]methanone
CID 124960266
1-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-2-methoxy-2-methylpropan-1-one
CID 124960101
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 110115591
2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136793086
[3-(bromomethyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802318
(4-chloro-3-methylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802438
[(2S,6R)-2-(1,3-benzodioxol-5-yl)-6-phenylmorpholin-4-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 155501846

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone (CID 124990802) is (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone is Cc1cc(C)nc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone?
The InChIKey is PEKUFJWCILMTOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-7-11(2)18-15(17-10)14-9-21(5-6-23-14)16(22)13-8-20(4)19-12(13)3/h7-8,14H,5-6,9H2,1-4H3/t14-/m0/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124990802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).