2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine

C19H19N3OS — CID 131908170

IUPAC2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine
SMILESc1ccc(C2CN(Cc3cnc(-c4cccs4)nc3)CCO2)cc1
InChIInChI=1S/C19H19N3OS/c1-2-5-16(6-3-1)17-14-22(8-9-23-17)13-15-11-20-19(21-12-15)18-7-4-10-24-18/h1-7,10-12,17H,8-9,13-14H2
InChIKeyMKPWOSAEEAWZLL-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.78
Rot. Bonds4

About 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine

2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine (PubChem CID 131908170) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine
PubChem CID131908170
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine
SMILESc1ccc(C2CN(Cc3cnc(-c4cccs4)nc3)CCO2)cc1
InChIInChI=1S/C19H19N3OS/c1-2-5-16(6-3-1)17-14-22(8-9-23-17)13-15-11-20-19(21-12-15)18-7-4-10-24-18/h1-7,10-12,17H,8-9,13-14H2
InChIKeyMKPWOSAEEAWZLL-UHFFFAOYSA-N
XLogP3.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5-[[4-methyl-5-(phenylmethoxymethyl)thiophen-3-yl]methyl]pyrimidin-4-amine
CID 145980821
(2R,3aS,7aS)-2-pyrimidin-4-yl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369524
(2S,3aS,7aS)-2-(2-methylpyrimidin-4-yl)-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369750
(2-Methoxyethyl){[2-(3-methylphenyl)pyrimidin-5-yl]methyl}(2-thienylmethyl)amine
CID 46994736
(1R)-2-[benzyl(pyrimidin-2-yl)amino]-1-thiophen-3-ylethanol
CID 97605166
(3R,5S)-1-(5-thiophen-3-ylpyrimidin-2-yl)-5-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-3-thiol
CID 10203455
1-(5-Thiophen-3-ylpyrimidin-2-yl)-5-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-3-thiol
CID 18761354
5-fluoro-N-(thiophen-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-amine
CID 57818640
5-fluoro-2-[(3-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 57818678
2-[(2,4-difluorophenyl)methoxy]-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 57818828
5-fluoro-N-(2-phenylethyl)-2-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 57819006
5-fluoro-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 57819033

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine?
The IUPAC name of 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine (CID 131908170) is 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine.
What is the SMILES notation for 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine?
The canonical SMILES for 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine is c1ccc(C2CN(Cc3cnc(-c4cccs4)nc3)CCO2)cc1.
What is the InChIKey of 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine?
The InChIKey is MKPWOSAEEAWZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-5-16(6-3-1)17-14-22(8-9-23-17)13-15-11-20-19(21-12-15)18-7-4-10-24-18/h1-7,10-12,17H,8-9,13-14H2.
What are the key properties of 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine?
2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine has a molecular weight of 337.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine is sourced from PubChem (CID 131908170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).