6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride

C14H18Cl2N6S — CID 172508926

IUPAC6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
SMILESC[C@H](N)Cc1cc2ncnc(NCc3ccncn3)c2s1.Cl.Cl
InChIInChI=1S/C14H16N6S.2ClH/c1-9(15)4-11-5-12-13(21-11)14(20-8-19-12)17-6-10-2-3-16-7-18-10;;/h2-3,5,7-9H,4,6,15H2,1H3,(H,17,19,20);2*1H/t9-;;/m0../s1
InChIKeyLMMIYDLYFGHKCW-WWPIYYJJSA-N
MW373.31 g/mol
LogP2.83
Rot. Bonds5

About 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride

6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 172508926) has the molecular formula C14H18Cl2N6S and a molecular weight of 373.31 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
PubChem CID172508926
Molecular FormulaC14H18Cl2N6S
Molecular Weight373.31 g/mol
Exact Mass372.07
IUPAC Name6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
SMILESC[C@H](N)Cc1cc2ncnc(NCc3ccncn3)c2s1.Cl.Cl
InChIInChI=1S/C14H16N6S.2ClH/c1-9(15)4-11-5-12-13(21-11)14(20-8-19-12)17-6-10-2-3-16-7-18-10;;/h2-3,5,7-9H,4,6,15H2,1H3,(H,17,19,20);2*1H/t9-;;/m0../s1
InChIKeyLMMIYDLYFGHKCW-WWPIYYJJSA-N
XLogP2.83
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride (CID 172508926) is 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride is C[C@H](N)Cc1cc2ncnc(NCc3ccncn3)c2s1.Cl.Cl.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The InChIKey is LMMIYDLYFGHKCW-WWPIYYJJSA-N. The full InChI is InChI=1S/C14H16N6S.2ClH/c1-9(15)4-11-5-12-13(21-11)14(20-8-19-12)17-6-10-2-3-16-7-18-10;;/h2-3,5,7-9H,4,6,15H2,1H3,(H,17,19,20);2*1H/t9-;;/m0../s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 373.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-aminopropyl]-N-(pyrimidin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 172508926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).