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

C13H17N3S2 — CID 3780230

IUPACN,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESC=CCSc1nc(N(CC)CC)c2sccc2n1
InChIInChI=1S/C13H17N3S2/c1-4-8-18-13-14-10-7-9-17-11(10)12(15-13)16(5-2)6-3/h4,7,9H,1,5-6,8H2,2-3H3
InChIKeyGLQGKBSYJAGVAW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.82
Rot. Bonds6

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

N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 3780230) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine
PubChem CID3780230
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESC=CCSc1nc(N(CC)CC)c2sccc2n1
InChIInChI=1S/C13H17N3S2/c1-4-8-18-13-14-10-7-9-17-11(10)12(15-13)16(5-2)6-3/h4,7,9H,1,5-6,8H2,2-3H3
InChIKeyGLQGKBSYJAGVAW-UHFFFAOYSA-N
XLogP3.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
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,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine (CID 3780230) is N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine is C=CCSc1nc(N(CC)CC)c2sccc2n1.
What is the InChIKey of N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GLQGKBSYJAGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-4-8-18-13-14-10-7-9-17-11(10)12(15-13)16(5-2)6-3/h4,7,9H,1,5-6,8H2,2-3H3.
What are the key properties of N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine?
N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 3780230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).