5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 731283

IUPAC5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N[C@H](C)c3ccccc3)c2c1C
InChIInChI=1S/C16H17N3S/c1-10-12(3)20-16-14(10)15(17-9-18-16)19-11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H,17,18,19)/t11-/m1/s1
InChIKeyAIXOOHLFFRERFK-LLVKDONJSA-N
MW283.40 g/mol
LogP4.48
Rot. Bonds3

About 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 731283) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID731283
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N[C@H](C)c3ccccc3)c2c1C
InChIInChI=1S/C16H17N3S/c1-10-12(3)20-16-14(10)15(17-9-18-16)19-11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H,17,18,19)/t11-/m1/s1
InChIKeyAIXOOHLFFRERFK-LLVKDONJSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 46213032
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 26036412
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol
CID 9110509
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83180101
N-(1-cyclohexylethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63540281
6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 95171151
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 4131791
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2377719
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 731283) is 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N[C@H](C)c3ccccc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AIXOOHLFFRERFK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-12(3)20-16-14(10)15(17-9-18-16)19-11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 731283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).