(2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine

C19H21N5O — CID 31258930

IUPAC(2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine
SMILESCc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1-c1cnn(C)c1
InChIInChI=1S/C19H21N5O/c1-14-10-20-19(22-18(14)16-11-21-23(2)12-16)24-8-9-25-17(13-24)15-6-4-3-5-7-15/h3-7,10-12,17H,8-9,13H2,1-2H3/t17-/m0/s1
InChIKeyAXEDCQJOGRURIM-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds3

About (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine

(2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine (PubChem CID 31258930) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine.

Molecular Properties

Compound Name(2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine
PubChem CID31258930
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine
SMILESCc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1-c1cnn(C)c1
InChIInChI=1S/C19H21N5O/c1-14-10-20-19(22-18(14)16-11-21-23(2)12-16)24-8-9-25-17(13-24)15-6-4-3-5-7-15/h3-7,10-12,17H,8-9,13H2,1-2H3/t17-/m0/s1
InChIKeyAXEDCQJOGRURIM-KRWDZBQOSA-N
XLogP2.76
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine 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 (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine?
The IUPAC name of (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine (CID 31258930) is (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine.
What is the SMILES notation for (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine?
The canonical SMILES for (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine is Cc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1-c1cnn(C)c1.
What is the InChIKey of (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine?
The InChIKey is AXEDCQJOGRURIM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-10-20-19(22-18(14)16-11-21-23(2)12-16)24-8-9-25-17(13-24)15-6-4-3-5-7-15/h3-7,10-12,17H,8-9,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine?
(2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine has a molecular weight of 335.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine is sourced from PubChem (CID 31258930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).