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

C14H16ClN5OS — CID 165146520

IUPAC6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@H](C)N)sc2c(NCc3ccon3)nc(Cl)nc12
InChIInChI=1S/C14H16ClN5OS/c1-7(16)5-10-8(2)11-12(22-10)13(19-14(15)18-11)17-6-9-3-4-21-20-9/h3-4,7H,5-6,16H2,1-2H3,(H,17,18,19)/t7-/m0/s1
InChIKeyYRMRVZHXHOXHCC-ZETCQYMHSA-N
MW337.84 g/mol
LogP3.14
Rot. Bonds5

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

6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 165146520) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID165146520
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC Name6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@H](C)N)sc2c(NCc3ccon3)nc(Cl)nc12
InChIInChI=1S/C14H16ClN5OS/c1-7(16)5-10-8(2)11-12(22-10)13(19-14(15)18-11)17-6-9-3-4-21-20-9/h3-4,7H,5-6,16H2,1-2H3,(H,17,18,19)/t7-/m0/s1
InChIKeyYRMRVZHXHOXHCC-ZETCQYMHSA-N
XLogP3.14
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 164865954
6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 166063842
6-(2-aminoethyl)-2-chloro-N-[(3-fluorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 167198237
2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178030
6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
CID 177282064
4-chloro-N-(1,2-oxazol-3-ylmethyl)-1,2,5-thiadiazol-3-amine
CID 81177621
6-[(2S)-2-aminopropyl]-2-chloro-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;dihydrochloride
CID 164865973
2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
CID 175365847
6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
CID 170337879
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574719
6-[(1R,6R)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644955
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644582

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 165146520) is 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is Cc1c(C[C@H](C)N)sc2c(NCc3ccon3)nc(Cl)nc12.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YRMRVZHXHOXHCC-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c1-7(16)5-10-8(2)11-12(22-10)13(19-14(15)18-11)17-6-9-3-4-21-20-9/h3-4,7H,5-6,16H2,1-2H3,(H,17,18,19)/t7-/m0/s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
6-[(2S)-2-aminopropyl]-2-chloro-7-methyl-N-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 337.84 g/mol, XLogP of 3.14, 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-(1,2-oxazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 165146520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).