5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile

C16H18N4S — CID 80978097

IUPAC5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile
SMILESCCCNc1nc(C2CC2)nc(-c2ccc(C#N)s2)c1C
InChIInChI=1S/C16H18N4S/c1-3-8-18-15-10(2)14(13-7-6-12(9-17)21-13)19-16(20-15)11-4-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,18,19,20)
InChIKeyNZIGYSUVCZBWPF-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.08
Rot. Bonds5

About 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile

5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile (PubChem CID 80978097) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile
PubChem CID80978097
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile
SMILESCCCNc1nc(C2CC2)nc(-c2ccc(C#N)s2)c1C
InChIInChI=1S/C16H18N4S/c1-3-8-18-15-10(2)14(13-7-6-12(9-17)21-13)19-16(20-15)11-4-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,18,19,20)
InChIKeyNZIGYSUVCZBWPF-UHFFFAOYSA-N
XLogP4.08
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile
CID 80974727
2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80977815
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80975895
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
6-cyclobutyloxy-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
CID 80991023

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile (CID 80978097) is 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile is CCCNc1nc(C2CC2)nc(-c2ccc(C#N)s2)c1C.
What is the InChIKey of 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile?
The InChIKey is NZIGYSUVCZBWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-8-18-15-10(2)14(13-7-6-12(9-17)21-13)19-16(20-15)11-4-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,18,19,20).
What are the key properties of 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile?
5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile has a molecular weight of 298.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 80978097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).