4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine

C16H17N3S2 — CID 103334616

IUPAC4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Sc2cccc(C)c2)c2ccsc2n1
InChIInChI=1S/C16H17N3S2/c1-3-8-17-16-18-14-13(7-9-20-14)15(19-16)21-12-6-4-5-11(2)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyBWPBROFMFRDCLV-UHFFFAOYSA-N
MW315.47 g/mol
LogP4.97
Rot. Bonds5

About 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine

4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334616) has the molecular formula C16H17N3S2 and a molecular weight of 315.47 g/mol. Its IUPAC name is 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334616
Molecular FormulaC16H17N3S2
Molecular Weight315.47 g/mol
Exact Mass315.09
IUPAC Name4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Sc2cccc(C)c2)c2ccsc2n1
InChIInChI=1S/C16H17N3S2/c1-3-8-17-16-18-14-13(7-9-20-14)15(19-16)21-12-6-4-5-11(2)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyBWPBROFMFRDCLV-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232
2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 114231528
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334675
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336615
4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323565
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037
4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331849

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 103334616) is 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(Sc2cccc(C)c2)c2ccsc2n1.
What is the InChIKey of 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BWPBROFMFRDCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S2/c1-3-8-17-16-18-14-13(7-9-20-14)15(19-16)21-12-6-4-5-11(2)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 315.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).