N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine

C15H15N3OS2 — CID 16666965

IUPACN-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(SC)nc3ccsc23)cc1
InChIInChI=1S/C15H15N3OS2/c1-18(10-4-6-11(19-2)7-5-10)14-13-12(8-9-21-13)16-15(17-14)20-3/h4-9H,1-3H3
InChIKeyYFDMHYNRPHHEKC-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.19
Rot. Bonds4

About N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine

N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 16666965) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
PubChem CID16666965
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(SC)nc3ccsc23)cc1
InChIInChI=1S/C15H15N3OS2/c1-18(10-4-6-11(19-2)7-5-10)14-13-12(8-9-21-13)16-15(17-14)20-3/h4-9H,1-3H3
InChIKeyYFDMHYNRPHHEKC-UHFFFAOYSA-N
XLogP4.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine (CID 16666965) is N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(SC)nc3ccsc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YFDMHYNRPHHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-18(10-4-6-11(19-2)7-5-10)14-13-12(8-9-21-13)16-15(17-14)20-3/h4-9H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 16666965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).