[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

C13H15N5O2 — CID 124993182

IUPAC[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1
InChIInChI=1S/C13H15N5O2/c1-9-14-4-2-10(16-9)12-8-18(6-7-20-12)13(19)11-3-5-15-17-11/h2-5,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyPVVYGYWBSMXNIQ-LBPRGKRZSA-N
MW273.30 g/mol
LogP0.72
Rot. Bonds2

About [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 124993182) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID124993182
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nccc([C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1
InChIInChI=1S/C13H15N5O2/c1-9-14-4-2-10(16-9)12-8-18(6-7-20-12)13(19)11-3-5-15-17-11/h2-5,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyPVVYGYWBSMXNIQ-LBPRGKRZSA-N
XLogP0.72
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (CID 124993182) is [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is Cc1nccc([C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1.
What is the InChIKey of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is PVVYGYWBSMXNIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-14-4-2-10(16-9)12-8-18(6-7-20-12)13(19)11-3-5-15-17-11/h2-5,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 273.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 124993182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).