(2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate

C15H20N3O2S- — CID 6957456

IUPAC(2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCCc1cc2c(N[C@H](CC(C)C)C(=O)[O-])nc(C)nc2s1
InChIInChI=1S/C15H21N3O2S/c1-5-10-7-11-13(16-9(4)17-14(11)21-10)18-12(15(19)20)6-8(2)3/h7-8,12H,5-6H2,1-4H3,(H,19,20)(H,16,17,18)/p-1/t12-/m1/s1
InChIKeyLQXRZPGAQONRGK-GFCCVEGCSA-M
MW306.41 g/mol
LogP2.14
Rot. Bonds6

About (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate

(2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate (PubChem CID 6957456) has the molecular formula C15H20N3O2S- and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name(2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate
PubChem CID6957456
Molecular FormulaC15H20N3O2S-
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name(2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCCc1cc2c(N[C@H](CC(C)C)C(=O)[O-])nc(C)nc2s1
InChIInChI=1S/C15H21N3O2S/c1-5-10-7-11-13(16-9(4)17-14(11)21-10)18-12(15(19)20)6-8(2)3/h7-8,12H,5-6H2,1-4H3,(H,19,20)(H,16,17,18)/p-1/t12-/m1/s1
InChIKeyLQXRZPGAQONRGK-GFCCVEGCSA-M
XLogP2.14
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate?
The IUPAC name of (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate (CID 6957456) is (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate.
What is the SMILES notation for (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate?
The canonical SMILES for (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate is CCc1cc2c(N[C@H](CC(C)C)C(=O)[O-])nc(C)nc2s1.
What is the InChIKey of (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate?
The InChIKey is LQXRZPGAQONRGK-GFCCVEGCSA-M. The full InChI is InChI=1S/C15H21N3O2S/c1-5-10-7-11-13(16-9(4)17-14(11)21-10)18-12(15(19)20)6-8(2)3/h7-8,12H,5-6H2,1-4H3,(H,19,20)(H,16,17,18)/p-1/t12-/m1/s1.
What are the key properties of (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate?
(2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate has a molecular weight of 306.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 6957456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).