1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride

C9H12Cl2N4S — CID 146077996

IUPAC1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(c2ncnc3ccsc23)C1
InChIInChI=1S/C9H10N4S.2ClH/c10-6-3-13(4-6)9-8-7(1-2-14-8)11-5-12-9;;/h1-2,5-6H,3-4,10H2;2*1H
InChIKeyASOPPPKPIGWMPT-UHFFFAOYSA-N
MW279.20 g/mol
LogP1.68
Rot. Bonds1

About 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride

1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride (PubChem CID 146077996) has the molecular formula C9H12Cl2N4S and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
PubChem CID146077996
Molecular FormulaC9H12Cl2N4S
Molecular Weight279.20 g/mol
Exact Mass278.02
IUPAC Name1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(c2ncnc3ccsc23)C1
InChIInChI=1S/C9H10N4S.2ClH/c10-6-3-13(4-6)9-8-7(1-2-14-8)11-5-12-9;;/h1-2,5-6H,3-4,10H2;2*1H
InChIKeyASOPPPKPIGWMPT-UHFFFAOYSA-N
XLogP1.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride?
The IUPAC name of 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride (CID 146077996) is 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride?
The canonical SMILES for 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride is Cl.Cl.NC1CN(c2ncnc3ccsc23)C1.
What is the InChIKey of 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride?
The InChIKey is ASOPPPKPIGWMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S.2ClH/c10-6-3-13(4-6)9-8-7(1-2-14-8)11-5-12-9;;/h1-2,5-6H,3-4,10H2;2*1H.
What are the key properties of 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride?
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride has a molecular weight of 279.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride is sourced from PubChem (CID 146077996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).