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

C15H14ClN3S — CID 16627283

IUPACN-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cccc(Cl)c3)nc(C)nc2s1
InChIInChI=1S/C15H14ClN3S/c1-3-12-8-13-14(17-9(2)18-15(13)20-12)19-11-6-4-5-10(16)7-11/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyYXEMMLJXQDNLRC-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.96
Rot. Bonds3

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

N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16627283) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16627283
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cccc(Cl)c3)nc(C)nc2s1
InChIInChI=1S/C15H14ClN3S/c1-3-12-8-13-14(17-9(2)18-15(13)20-12)19-11-6-4-5-10(16)7-11/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyYXEMMLJXQDNLRC-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 35475136
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
CID 28853924
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid
CID 28853946
2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013
2-chloro-N-(3-chloro-5-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 107368867
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281
2-benzyl-N-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964737
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 6460527
[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615804
6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164
1-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 82022327
N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 171336432

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine (CID 16627283) is N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Nc3cccc(Cl)c3)nc(C)nc2s1.
What is the InChIKey of N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YXEMMLJXQDNLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-3-12-8-13-14(17-9(2)18-15(13)20-12)19-11-6-4-5-10(16)7-11/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.82 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16627283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).