4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile

C19H20N4O2S — CID 71525059

IUPAC4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile
SMILESC=CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C19H20N4O2S/c1-3-12-26-19-21-17(14-4-6-15(24-2)7-5-14)16(13-20)18(22-19)23-8-10-25-11-9-23/h3-7H,1,8-12H2,2H3
InChIKeyAGSRVERRNHBLJB-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.14
Rot. Bonds6

About 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile

4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile (PubChem CID 71525059) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile
PubChem CID71525059
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile
SMILESC=CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C19H20N4O2S/c1-3-12-26-19-21-17(14-4-6-15(24-2)7-5-14)16(13-20)18(22-19)23-8-10-25-11-9-23/h3-7H,1,8-12H2,2H3
InChIKeyAGSRVERRNHBLJB-UHFFFAOYSA-N
XLogP3.14
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile (CID 71525059) is 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile is C=CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(N2CCOCC2)n1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is AGSRVERRNHBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-12-26-19-21-17(14-4-6-15(24-2)7-5-14)16(13-20)18(22-19)23-8-10-25-11-9-23/h3-7H,1,8-12H2,2H3.
What are the key properties of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile?
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 368.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 71525059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).