N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H16ClN3S — CID 91965399

IUPACN-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(Nc2ccccc2Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H16ClN3S/c1-4-13-19-15(18-12-8-6-5-7-11(12)17)14-9(2)10(3)21-16(14)20-13/h5-8H,4H2,1-3H3,(H,18,19,20)
InChIKeyLBAKERNYXQJOCA-UHFFFAOYSA-N
MW317.85 g/mol
LogP5.27
Rot. Bonds3

About N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965399) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965399
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC NameN-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(Nc2ccccc2Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H16ClN3S/c1-4-13-19-15(18-12-8-6-5-7-11(12)17)14-9(2)10(3)21-16(14)20-13/h5-8H,4H2,1-3H3,(H,18,19,20)
InChIKeyLBAKERNYXQJOCA-UHFFFAOYSA-N
XLogP5.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.85
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965458
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
N-(3-chloro-4-methoxyphenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965444
2-chloro-5,6-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066129
N-(1,3-benzodioxol-5-yl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965456
2-benzyl-N-(5-chloro-2,4-dimethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4197473
N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2125559
3-[(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91965421
2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964637
N-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91965470
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91965399) is N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(Nc2ccccc2Cl)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LBAKERNYXQJOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-4-13-19-15(18-12-8-6-5-7-11(12)17)14-9(2)10(3)21-16(14)20-13/h5-8H,4H2,1-3H3,(H,18,19,20).
What are the key properties of N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.85 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).