2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C10H12ClN3S — CID 130505615

IUPAC2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESClc1nc2c(c(NC3CCC3)n1)SCC2
InChIInChI=1S/C10H12ClN3S/c11-10-13-7-4-5-15-8(7)9(14-10)12-6-2-1-3-6/h6H,1-5H2,(H,12,13,14)
InChIKeySLAPEWIPJPUAJA-UHFFFAOYSA-N
MW241.75 g/mol
LogP2.74
Rot. Bonds2

About 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 130505615) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID130505615
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESClc1nc2c(c(NC3CCC3)n1)SCC2
InChIInChI=1S/C10H12ClN3S/c11-10-13-7-4-5-15-8(7)9(14-10)12-6-2-1-3-6/h6H,1-5H2,(H,12,13,14)
InChIKeySLAPEWIPJPUAJA-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 130505615) is 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Clc1nc2c(c(NC3CCC3)n1)SCC2.
What is the InChIKey of 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SLAPEWIPJPUAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c11-10-13-7-4-5-15-8(7)9(14-10)12-6-2-1-3-6/h6H,1-5H2,(H,12,13,14).
What are the key properties of 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 241.75 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 130505615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).