6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C15H23N3S2 — CID 65137018

IUPAC6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CSCC(C)C)nc2sc(C)cc12
InChIInChI=1S/C15H23N3S2/c1-5-6-16-14-12-7-11(4)20-15(12)18-13(17-14)9-19-8-10(2)3/h7,10H,5-6,8-9H2,1-4H3,(H,16,17,18)
InChIKeyHVZVVUAPNDYRFE-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.71
Rot. Bonds7

About 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65137018) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65137018
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC Name6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CSCC(C)C)nc2sc(C)cc12
InChIInChI=1S/C15H23N3S2/c1-5-6-16-14-12-7-11(4)20-15(12)18-13(17-14)9-19-8-10(2)3/h7,10H,5-6,8-9H2,1-4H3,(H,16,17,18)
InChIKeyHVZVVUAPNDYRFE-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-dimethylpropyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63891532
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
2-(1-methoxy-2-methylpropyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728563
6-methyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328024
[2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65141241
5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198
2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine
CID 166120028
6-methyl-2-(4-methylcyclohexyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63616852
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 65137018) is 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CSCC(C)C)nc2sc(C)cc12.
What is the InChIKey of 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HVZVVUAPNDYRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-5-6-16-14-12-7-11(4)20-15(12)18-13(17-14)9-19-8-10(2)3/h7,10H,5-6,8-9H2,1-4H3,(H,16,17,18).
What are the key properties of 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65137018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).