(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid

C11H13N3O2S — CID 93263493

IUPAC(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
SMILESCC(C)[C@@H](Nc1ncnc2sccc12)C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-6(2)8(11(15)16)14-9-7-3-4-17-10(7)13-5-12-9/h3-6,8H,1-2H3,(H,15,16)(H,12,13,14)/t8-/m1/s1
InChIKeyDZWRXRHBDTYOJP-MRVPVSSYSA-N
MW251.31 g/mol
LogP2.21
Rot. Bonds4

About (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid

(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid (PubChem CID 93263493) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
PubChem CID93263493
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
SMILESCC(C)[C@@H](Nc1ncnc2sccc12)C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-6(2)8(11(15)16)14-9-7-3-4-17-10(7)13-5-12-9/h3-6,8H,1-2H3,(H,15,16)(H,12,13,14)/t8-/m1/s1
InChIKeyDZWRXRHBDTYOJP-MRVPVSSYSA-N
XLogP2.21
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 43631382
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CID 61265918
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 122050876
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
CID 103746152
(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 94546891
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9196052
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid (CID 93263493) is (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid is CC(C)[C@@H](Nc1ncnc2sccc12)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid?
The InChIKey is DZWRXRHBDTYOJP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6(2)8(11(15)16)14-9-7-3-4-17-10(7)13-5-12-9/h3-6,8H,1-2H3,(H,15,16)(H,12,13,14)/t8-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid?
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid has a molecular weight of 251.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid is sourced from PubChem (CID 93263493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).