(2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine

C21H23N5O — CID 50948843

IUPAC(2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine
SMILESCc1ccc(-c2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc2-c2cncnc2)cc1
InChIInChI=1S/C21H23N5O/c1-14-4-6-17(7-5-14)20-19(18-8-22-13-23-9-18)10-24-21(25-20)26-11-15(2)27-16(3)12-26/h4-10,13,15-16H,11-12H2,1-3H3/t15-,16+
InChIKeyYUGHQOVKPVCNQF-IYBDPMFKSA-N
MW361.45 g/mol
LogP3.52
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine

(2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine (PubChem CID 50948843) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine
PubChem CID50948843
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine
SMILESCc1ccc(-c2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc2-c2cncnc2)cc1
InChIInChI=1S/C21H23N5O/c1-14-4-6-17(7-5-14)20-19(18-8-22-13-23-9-18)10-24-21(25-20)26-11-15(2)27-16(3)12-26/h4-10,13,15-16H,11-12H2,1-3H3/t15-,16+
InChIKeyYUGHQOVKPVCNQF-IYBDPMFKSA-N
XLogP3.52
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine (CID 50948843) is (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine is Cc1ccc(-c2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc2-c2cncnc2)cc1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine?
The InChIKey is YUGHQOVKPVCNQF-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-4-6-17(7-5-14)20-19(18-8-22-13-23-9-18)10-24-21(25-20)26-11-15(2)27-16(3)12-26/h4-10,13,15-16H,11-12H2,1-3H3/t15-,16+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine?
(2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine has a molecular weight of 361.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)-5-pyrimidin-5-ylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 50948843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).