N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine

C12H13N3S2 — CID 3750330

IUPACN-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESC=CCNc1nc(SCC=C)nc2ccsc12
InChIInChI=1S/C12H13N3S2/c1-3-6-13-11-10-9(5-8-16-10)14-12(15-11)17-7-4-2/h3-5,8H,1-2,6-7H2,(H,13,14,15)
InChIKeyHQKDZYIVSFPCKJ-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.57
Rot. Bonds6

About N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine

N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 3750330) has the molecular formula C12H13N3S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine
PubChem CID3750330
Molecular FormulaC12H13N3S2
Molecular Weight263.39 g/mol
Exact Mass263.06
IUPAC NameN-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESC=CCNc1nc(SCC=C)nc2ccsc12
InChIInChI=1S/C12H13N3S2/c1-3-6-13-11-10-9(5-8-16-10)14-12(15-11)17-7-4-2/h3-5,8H,1-2,6-7H2,(H,13,14,15)
InChIKeyHQKDZYIVSFPCKJ-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine (CID 3750330) is N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine is C=CCNc1nc(SCC=C)nc2ccsc12.
What is the InChIKey of N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is HQKDZYIVSFPCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S2/c1-3-6-13-11-10-9(5-8-16-10)14-12(15-11)17-7-4-2/h3-5,8H,1-2,6-7H2,(H,13,14,15).
What are the key properties of N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine?
N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 3750330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).