2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine

C16H16ClN3S — CID 93214011

IUPAC2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2c(CC)sc3nc(Cl)nc(N)c23)cc1
InChIInChI=1S/C16H16ClN3S/c1-3-9-5-7-10(8-6-9)12-11(4-2)21-15-13(12)14(18)19-16(17)20-15/h5-8H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyRXKIBONZEMLDCB-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.72
Rot. Bonds3

About 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 93214011) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID93214011
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2c(CC)sc3nc(Cl)nc(N)c23)cc1
InChIInChI=1S/C16H16ClN3S/c1-3-9-5-7-10(8-6-9)12-11(4-2)21-15-13(12)14(18)19-16(17)20-15/h5-8H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyRXKIBONZEMLDCB-UHFFFAOYSA-N
XLogP4.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 69061425
2-chloro-6-ethyl-5-(4-methylphenyl)-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 82066483
4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 28864492
2-chloro-5-(4-ethylphenyl)pyrimidine
CID 82114110
2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
4-[[5-ethyl-4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163872
6-chloro-1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460156
3,6-diamino-5-cyano-4-(4-ethylphenyl)-N-(2-methylbutan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23914302
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methylsulfanylphenyl)urea
CID 69056645
5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868484
2-benzyl-5-(4-chloro-3-methylphenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890552
3,6-diamino-5-cyano-4-(4-ethylphenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23914346

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 93214011) is 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine is CCc1ccc(-c2c(CC)sc3nc(Cl)nc(N)c23)cc1.
What is the InChIKey of 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RXKIBONZEMLDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-3-9-5-7-10(8-6-9)12-11(4-2)21-15-13(12)14(18)19-16(17)20-15/h5-8H,3-4H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.85 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 93214011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).