4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine

C14H14N4S — CID 80847556

IUPAC4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C14H14N4S/c1-2-15-14-16-7-5-13(18-14)17-11-3-4-12-10(9-11)6-8-19-12/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyKZUGGSNKDPRJOS-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.87
Rot. Bonds4

About 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine

4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80847556) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80847556
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C14H14N4S/c1-2-15-14-16-7-5-13(18-14)17-11-3-4-12-10(9-11)6-8-19-12/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyKZUGGSNKDPRJOS-UHFFFAOYSA-N
XLogP3.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzothiophen-5-yl)-2-chloropyrimidin-4-amine
CID 65453391
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-(1-benzothiophen-5-yl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80828180
4-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80748841
4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80842791
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937710
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847856
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
CID 65475431
2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
CID 79175673

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine (CID 80847556) is 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(Nc2ccc3sccc3c2)n1.
What is the InChIKey of 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is KZUGGSNKDPRJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-15-14-16-7-5-13(18-14)17-11-3-4-12-10(9-11)6-8-19-12/h3-9H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine?
4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 270.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80847556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).