(2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide

C20H19N5OS — CID 69206809

IUPAC(2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide
SMILESNC1c2ccsc2N=CN1c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C20H19N5OS/c21-17(13-4-2-1-3-5-13)19(26)24-14-6-8-15(9-7-14)25-12-23-20-16(18(25)22)10-11-27-20/h1-12,17-18H,21-22H2,(H,24,26)/t17-,18?/m0/s1
InChIKeyITBMYQVSVWYPQH-ZENAZSQFSA-N
MW377.47 g/mol
LogP3.52
Rot. Bonds4

About (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide

(2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide (PubChem CID 69206809) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide
PubChem CID69206809
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name(2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide
SMILESNC1c2ccsc2N=CN1c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C20H19N5OS/c21-17(13-4-2-1-3-5-13)19(26)24-14-6-8-15(9-7-14)25-12-23-20-16(18(25)22)10-11-27-20/h1-12,17-18H,21-22H2,(H,24,26)/t17-,18?/m0/s1
InChIKeyITBMYQVSVWYPQH-ZENAZSQFSA-N
XLogP3.52
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide (CID 69206809) is (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide is NC1c2ccsc2N=CN1c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide?
The InChIKey is ITBMYQVSVWYPQH-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H19N5OS/c21-17(13-4-2-1-3-5-13)19(26)24-14-6-8-15(9-7-14)25-12-23-20-16(18(25)22)10-11-27-20/h1-12,17-18H,21-22H2,(H,24,26)/t17-,18?/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide?
(2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide has a molecular weight of 377.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 69206809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).