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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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).