N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride

C8H12Cl2N4S — CID 122163962

IUPACN'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1ncnc2sccc12
InChIInChI=1S/C8H10N4S.2ClH/c9-2-3-10-7-6-1-4-13-8(6)12-5-11-7;;/h1,4-5H,2-3,9H2,(H,10,11,12);2*1H
InChIKeyNAYMLCJJEGUWBT-UHFFFAOYSA-N
MW267.18 g/mol
LogP1.91
Rot. Bonds3

About N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride

N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride (PubChem CID 122163962) has the molecular formula C8H12Cl2N4S and a molecular weight of 267.18 g/mol. Its IUPAC name is N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
PubChem CID122163962
Molecular FormulaC8H12Cl2N4S
Molecular Weight267.18 g/mol
Exact Mass266.02
IUPAC NameN'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1ncnc2sccc12
InChIInChI=1S/C8H10N4S.2ClH/c9-2-3-10-7-6-1-4-13-8(6)12-5-11-7;;/h1,4-5H,2-3,9H2,(H,10,11,12);2*1H
InChIKeyNAYMLCJJEGUWBT-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 39746305
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 67600724

Frequently Asked Questions

What is the IUPAC name of N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride (CID 122163962) is N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNc1ncnc2sccc12.
What is the InChIKey of N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride?
The InChIKey is NAYMLCJJEGUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S.2ClH/c9-2-3-10-7-6-1-4-13-8(6)12-5-11-7;;/h1,4-5H,2-3,9H2,(H,10,11,12);2*1H.
What are the key properties of N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride?
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride has a molecular weight of 267.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 122163962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).