N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine

C13H19N3S — CID 4060711

IUPACN-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCN(CC)c1ncnc2sc(C)cc12
InChIInChI=1S/C13H19N3S/c1-4-6-7-16(5-2)12-11-8-10(3)17-13(11)15-9-14-12/h8-9H,4-7H2,1-3H3
InChIKeyWMSIZPMTVLMWGL-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.63
Rot. Bonds5

About N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine

N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4060711) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4060711
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCN(CC)c1ncnc2sc(C)cc12
InChIInChI=1S/C13H19N3S/c1-4-6-7-16(5-2)12-11-8-10(3)17-13(11)15-9-14-12/h8-9H,4-7H2,1-3H3
InChIKeyWMSIZPMTVLMWGL-UHFFFAOYSA-N
XLogP3.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 4060711) is N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCCCN(CC)c1ncnc2sc(C)cc12.
What is the InChIKey of N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WMSIZPMTVLMWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-6-7-16(5-2)12-11-8-10(3)17-13(11)15-9-14-12/h8-9H,4-7H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 249.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4060711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).