N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine

C14H13N3S2 — CID 103334534

IUPACN-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ccccc2C)c2ccsc2n1
InChIInChI=1S/C14H13N3S2/c1-9-5-3-4-6-11(9)19-13-10-7-8-18-12(10)16-14(15-2)17-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyYAJSSMPCBXXENO-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.19
Rot. Bonds3

About N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine

N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334534) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334534
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC NameN-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ccccc2C)c2ccsc2n1
InChIInChI=1S/C14H13N3S2/c1-9-5-3-4-6-11(9)19-13-10-7-8-18-12(10)16-14(15-2)17-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyYAJSSMPCBXXENO-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
4-(2,5-difluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334423
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334519
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037
4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 114001333
4-methyl-2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 136678147
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336539
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
[4-(2-methylfuran-3-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107785418

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine (CID 103334534) is N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2ccccc2C)c2ccsc2n1.
What is the InChIKey of N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YAJSSMPCBXXENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-9-5-3-4-6-11(9)19-13-10-7-8-18-12(10)16-14(15-2)17-13/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).