4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine

C14H12ClN3S — CID 82309519

IUPAC4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C14H12ClN3S/c1-2-16-14-17-12(15)11-10(8-19-13(11)18-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyWKOGUUHEIYVKQW-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.44
Rot. Bonds3

About 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine

4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309519) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309519
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C14H12ClN3S/c1-2-16-14-17-12(15)11-10(8-19-13(11)18-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyWKOGUUHEIYVKQW-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
CID 95507132
4-chloro-5-(4-methylphenyl)-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
CID 95507130
4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 95507140
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
CID 12824912
4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
CID 144926094
4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 95506820
2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 93214379
2-chloro-N-(3-methylbutyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 82066650
4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine
CID 158753076
2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 79412130
N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine (CID 82309519) is 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Cl)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WKOGUUHEIYVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-2-16-14-17-12(15)11-10(8-19-13(11)18-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 289.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).