(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide

C16H17N5OS — CID 138020227

IUPAC(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
SMILESCC(C)[C@H](Nc1nc(-c2ccccn2)nc2sccc12)C(N)=O
InChIInChI=1S/C16H17N5OS/c1-9(2)12(13(17)22)19-14-10-6-8-23-16(10)21-15(20-14)11-5-3-4-7-18-11/h3-9,12H,1-2H3,(H2,17,22)(H,19,20,21)/t12-/m0/s1
InChIKeyFJBQKOKWKKTZEQ-LBPRGKRZSA-N
MW327.41 g/mol
LogP2.68
Rot. Bonds5

About (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide

(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide (PubChem CID 138020227) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
PubChem CID138020227
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
SMILESCC(C)[C@H](Nc1nc(-c2ccccn2)nc2sccc12)C(N)=O
InChIInChI=1S/C16H17N5OS/c1-9(2)12(13(17)22)19-14-10-6-8-23-16(10)21-15(20-14)11-5-3-4-7-18-11/h3-9,12H,1-2H3,(H2,17,22)(H,19,20,21)/t12-/m0/s1
InChIKeyFJBQKOKWKKTZEQ-LBPRGKRZSA-N
XLogP2.68
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide?
The IUPAC name of (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide (CID 138020227) is (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide is CC(C)[C@H](Nc1nc(-c2ccccn2)nc2sccc12)C(N)=O.
What is the InChIKey of (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide?
The InChIKey is FJBQKOKWKKTZEQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-9(2)12(13(17)22)19-14-10-6-8-23-16(10)21-15(20-14)11-5-3-4-7-18-11/h3-9,12H,1-2H3,(H2,17,22)(H,19,20,21)/t12-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide?
(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide has a molecular weight of 327.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 138020227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).