N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C15H17N3S3 — CID 63485868

IUPACN-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCSCc1nc(NC)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C15H17N3S3/c1-3-6-19-9-12-17-14(16-2)13-10(8-21-15(13)18-12)11-5-4-7-20-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,17,18)
InChIKeyJKWZHAYLACQREM-UHFFFAOYSA-N
MW335.52 g/mol
LogP5.10
Rot. Bonds6

About N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63485868) has the molecular formula C15H17N3S3 and a molecular weight of 335.52 g/mol. Its IUPAC name is N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63485868
Molecular FormulaC15H17N3S3
Molecular Weight335.52 g/mol
Exact Mass335.06
IUPAC NameN-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCSCc1nc(NC)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C15H17N3S3/c1-3-6-19-9-12-17-14(16-2)13-10(8-21-15(13)18-12)11-5-4-7-20-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,17,18)
InChIKeyJKWZHAYLACQREM-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62245466
2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 62189302
4-chloro-2-(2-methylpropylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 63537714
5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189072
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9196239
N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 107756644
N-hexadecyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 4554048
N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62502874
N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63659080
3-[[2-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpyrrole-2,5-dione
CID 69405482
2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 744713
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 63485868) is N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is CCCSCc1nc(NC)c2c(-c3cccs3)csc2n1.
What is the InChIKey of N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JKWZHAYLACQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S3/c1-3-6-19-9-12-17-14(16-2)13-10(8-21-15(13)18-12)11-5-4-7-20-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.52 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63485868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).