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

C11H13N5O — CID 95841691

IUPAC(2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
SMILESc1cnc(N2CCO[C@H](c3ccn[nH]3)C2)nc1
InChIInChI=1S/C11H13N5O/c1-3-12-11(13-4-1)16-6-7-17-10(8-16)9-2-5-14-15-9/h1-5,10H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyKYDULOWXIXJGCZ-JTQLQIEISA-N
MW231.26 g/mol
LogP0.78
Rot. Bonds2

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

(2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine (PubChem CID 95841691) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
PubChem CID95841691
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name(2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
SMILESc1cnc(N2CCO[C@H](c3ccn[nH]3)C2)nc1
InChIInChI=1S/C11H13N5O/c1-3-12-11(13-4-1)16-6-7-17-10(8-16)9-2-5-14-15-9/h1-5,10H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyKYDULOWXIXJGCZ-JTQLQIEISA-N
XLogP0.78
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The IUPAC name of (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine (CID 95841691) is (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine.
What is the SMILES notation for (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The canonical SMILES for (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine is c1cnc(N2CCO[C@H](c3ccn[nH]3)C2)nc1.
What is the InChIKey of (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine?
The InChIKey is KYDULOWXIXJGCZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-12-11(13-4-1)16-6-7-17-10(8-16)9-2-5-14-15-9/h1-5,10H,6-8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine?
(2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine has a molecular weight of 231.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine is sourced from PubChem (CID 95841691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).