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

C15H14ClN3S — CID 2808291

IUPACN-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCCc3ccc(Cl)cc3)c12
InChIInChI=1S/C15H14ClN3S/c1-10-8-20-15-13(10)14(18-9-19-15)17-7-6-11-2-4-12(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
InChIKeyLEGUQDCVQXJFKS-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.31
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2808291) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2808291
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCCc3ccc(Cl)cc3)c12
InChIInChI=1S/C15H14ClN3S/c1-10-8-20-15-13(10)14(18-9-19-15)17-7-6-11-2-4-12(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
InChIKeyLEGUQDCVQXJFKS-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 2808291) is N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(NCCc3ccc(Cl)cc3)c12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LEGUQDCVQXJFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-10-8-20-15-13(10)14(18-9-19-15)17-7-6-11-2-4-12(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.82 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2808291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).