5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide

C19H18N4O2S — CID 10133501

IUPAC5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cc(-c2ccccc2)cs1
InChIInChI=1S/C19H18N4O2S/c1-3-21-18(24)23-17(15(10-20)12(2)22-19(23)25)16-9-14(11-26-16)13-7-5-4-6-8-13/h4-9,11,17H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRFZXFNCKDNSPDV-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.01
Rot. Bonds3

About 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide

5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide (PubChem CID 10133501) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide
PubChem CID10133501
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cc(-c2ccccc2)cs1
InChIInChI=1S/C19H18N4O2S/c1-3-21-18(24)23-17(15(10-20)12(2)22-19(23)25)16-9-14(11-26-16)13-7-5-4-6-8-13/h4-9,11,17H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRFZXFNCKDNSPDV-UHFFFAOYSA-N
XLogP4.01
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide?
The IUPAC name of 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide (CID 10133501) is 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide is CCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cc(-c2ccccc2)cs1.
What is the InChIKey of 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide?
The InChIKey is RFZXFNCKDNSPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-3-21-18(24)23-17(15(10-20)12(2)22-19(23)25)16-9-14(11-26-16)13-7-5-4-6-8-13/h4-9,11,17H,3H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide?
5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-1,4-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 10133501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).