2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile

C12H12N4S — CID 107544856

IUPAC2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
SMILESCCc1ccsc1CNc1nccc(C#N)n1
InChIInChI=1S/C12H12N4S/c1-2-9-4-6-17-11(9)8-15-12-14-5-3-10(7-13)16-12/h3-6H,2,8H2,1H3,(H,14,15,16)
InChIKeyUGHYWUUDLATBDY-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.58
Rot. Bonds4

About 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile

2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 107544856) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
PubChem CID107544856
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
SMILESCCc1ccsc1CNc1nccc(C#N)n1
InChIInChI=1S/C12H12N4S/c1-2-9-4-6-17-11(9)8-15-12-14-5-3-10(7-13)16-12/h3-6H,2,8H2,1H3,(H,14,15,16)
InChIKeyUGHYWUUDLATBDY-UHFFFAOYSA-N
XLogP2.58
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 83076437
2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
CID 107544637
5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine
CID 105362737
3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383582
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
5-chloro-4-N-[(3-ethylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854706
4-[(3-ethylthiophen-2-yl)methylamino]-2-fluorobenzonitrile
CID 115367671
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
6-N-ethyl-4-N-[(3-ethylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80839995

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile (CID 107544856) is 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile is CCc1ccsc1CNc1nccc(C#N)n1.
What is the InChIKey of 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is UGHYWUUDLATBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-2-9-4-6-17-11(9)8-15-12-14-5-3-10(7-13)16-12/h3-6H,2,8H2,1H3,(H,14,15,16).
What are the key properties of 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile?
2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).