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

C15H18Cl3N5S — CID 164865973

IUPAC6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
SMILESC[C@H](N)Cc1cc2nc(Cl)nc(NCc3ccncc3)c2s1.Cl.Cl
InChIInChI=1S/C15H16ClN5S.2ClH/c1-9(17)6-11-7-12-13(22-11)14(21-15(16)20-12)19-8-10-2-4-18-5-3-10;;/h2-5,7,9H,6,8,17H2,1H3,(H,19,20,21);2*1H/t9-;;/m0../s1
InChIKeySRZLIVDPGMRWBL-WWPIYYJJSA-N
MW406.77 g/mol
LogP4.09
Rot. Bonds5

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

6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 164865973) has the molecular formula C15H18Cl3N5S and a molecular weight of 406.77 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
PubChem CID164865973
Molecular FormulaC15H18Cl3N5S
Molecular Weight406.77 g/mol
Exact Mass405.03
IUPAC Name6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
SMILESC[C@H](N)Cc1cc2nc(Cl)nc(NCc3ccncc3)c2s1.Cl.Cl
InChIInChI=1S/C15H16ClN5S.2ClH/c1-9(17)6-11-7-12-13(22-11)14(21-15(16)20-12)19-8-10-2-4-18-5-3-10;;/h2-5,7,9H,6,8,17H2,1H3,(H,19,20,21);2*1H/t9-;;/m0../s1
InChIKeySRZLIVDPGMRWBL-WWPIYYJJSA-N
XLogP4.09
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.77
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride (CID 164865973) is 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride is C[C@H](N)Cc1cc2nc(Cl)nc(NCc3ccncc3)c2s1.Cl.Cl.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The InChIKey is SRZLIVDPGMRWBL-WWPIYYJJSA-N. The full InChI is InChI=1S/C15H16ClN5S.2ClH/c1-9(17)6-11-7-12-13(22-11)14(21-15(16)20-12)19-8-10-2-4-18-5-3-10;;/h2-5,7,9H,6,8,17H2,1H3,(H,19,20,21);2*1H/t9-;;/m0../s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 406.77 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 164865973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).