4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C15H16N4S — CID 80842791

IUPAC4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccc3sccc3c2)c1C
InChIInChI=1S/C15H16N4S/c1-3-16-14-10(2)15(18-9-17-14)19-12-4-5-13-11(8-12)6-7-20-13/h4-9H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyIFJVBTFYCSYRMF-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.18
Rot. Bonds4

About 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80842791) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80842791
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccc3sccc3c2)c1C
InChIInChI=1S/C15H16N4S/c1-3-16-14-10(2)15(18-9-17-14)19-12-4-5-13-11(8-12)6-7-20-13/h4-9H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyIFJVBTFYCSYRMF-UHFFFAOYSA-N
XLogP4.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine
CID 65452767
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80824692
4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847556
4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80982098
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515
2-N-(1-benzothiophen-5-yl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80828180
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-benzothiophen-5-amine
CID 43687800
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80842791) is 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2ccc3sccc3c2)c1C.
What is the InChIKey of 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is IFJVBTFYCSYRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-3-16-14-10(2)15(18-9-17-14)19-12-4-5-13-11(8-12)6-7-20-13/h4-9H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 284.39 g/mol, XLogP of 4.18, 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)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80842791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).