5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile

C15H18N4S — CID 80974727

IUPAC5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile
SMILESCCCc1nc(NCC)c(C)c(-c2ccc(C#N)s2)n1
InChIInChI=1S/C15H18N4S/c1-4-6-13-18-14(10(3)15(19-13)17-5-2)12-8-7-11(9-16)20-12/h7-8H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyIGOYXFSDNYMUCR-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.77
Rot. Bonds5

About 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile

5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile (PubChem CID 80974727) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile
PubChem CID80974727
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile
SMILESCCCc1nc(NCC)c(C)c(-c2ccc(C#N)s2)n1
InChIInChI=1S/C15H18N4S/c1-4-6-13-18-14(10(3)15(19-13)17-5-2)12-8-7-11(9-16)20-12/h7-8H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyIGOYXFSDNYMUCR-UHFFFAOYSA-N
XLogP3.77
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977253
5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile
CID 80978097
5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile
CID 80945273
6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977454
N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977618
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
N-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80975348
N-ethyl-6-(1-ethylimidazol-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976649
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
CID 80976401
N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977825
5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734562
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523

Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile (CID 80974727) is 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile is CCCc1nc(NCC)c(C)c(-c2ccc(C#N)s2)n1.
What is the InChIKey of 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile?
The InChIKey is IGOYXFSDNYMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-4-6-13-18-14(10(3)15(19-13)17-5-2)12-8-7-11(9-16)20-12/h7-8H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile?
5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile has a molecular weight of 286.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 80974727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).