6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

C14H16ClN5S2 — CID 164865954

IUPAC6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@H](C)N)sc2c(NCc3cncs3)nc(Cl)nc12
InChIInChI=1S/C14H16ClN5S2/c1-7(16)3-10-8(2)11-12(22-10)13(20-14(15)19-11)18-5-9-4-17-6-21-9/h4,6-7H,3,5,16H2,1-2H3,(H,18,19,20)/t7-/m0/s1
InChIKeyOXSIPVPYTKGLJU-ZETCQYMHSA-N
MW353.90 g/mol
LogP3.61
Rot. Bonds5

About 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 164865954) has the molecular formula C14H16ClN5S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID164865954
Molecular FormulaC14H16ClN5S2
Molecular Weight353.90 g/mol
Exact Mass353.05
IUPAC Name6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@H](C)N)sc2c(NCc3cncs3)nc(Cl)nc12
InChIInChI=1S/C14H16ClN5S2/c1-7(16)3-10-8(2)11-12(22-10)13(20-14(15)19-11)18-5-9-4-17-6-21-9/h4,6-7H,3,5,16H2,1-2H3,(H,18,19,20)/t7-/m0/s1
InChIKeyOXSIPVPYTKGLJU-ZETCQYMHSA-N
XLogP3.61
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 53.61
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]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 164865954) is 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is Cc1c(C[C@H](C)N)sc2c(NCc3cncs3)nc(Cl)nc12.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OXSIPVPYTKGLJU-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H16ClN5S2/c1-7(16)3-10-8(2)11-12(22-10)13(20-14(15)19-11)18-5-9-4-17-6-21-9/h4,6-7H,3,5,16H2,1-2H3,(H,18,19,20)/t7-/m0/s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 353.90 g/mol, XLogP of 3.61, 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]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 164865954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).