(2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine

C12H15N5O — CID 95841693

IUPAC(2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
SMILESCc1cn[nH]c1[C@@H]1CN(c2ncccn2)CCO1
InChIInChI=1S/C12H15N5O/c1-9-7-15-16-11(9)10-8-17(5-6-18-10)12-13-3-2-4-14-12/h2-4,7,10H,5-6,8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyOEXOYZURZDTFGI-JTQLQIEISA-N
MW245.29 g/mol
LogP1.09
Rot. Bonds2

About (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine

(2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine (PubChem CID 95841693) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
PubChem CID95841693
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
SMILESCc1cn[nH]c1[C@@H]1CN(c2ncccn2)CCO1
InChIInChI=1S/C12H15N5O/c1-9-7-15-16-11(9)10-8-17(5-6-18-10)12-13-3-2-4-14-12/h2-4,7,10H,5-6,8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyOEXOYZURZDTFGI-JTQLQIEISA-N
XLogP1.09
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The IUPAC name of (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine (CID 95841693) is (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine.
What is the SMILES notation for (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The canonical SMILES for (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine is Cc1cn[nH]c1[C@@H]1CN(c2ncccn2)CCO1.
What is the InChIKey of (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The InChIKey is OEXOYZURZDTFGI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-7-15-16-11(9)10-8-17(5-6-18-10)12-13-3-2-4-14-12/h2-4,7,10H,5-6,8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine?
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine has a molecular weight of 245.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine is sourced from PubChem (CID 95841693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).