2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

C20H23N5O2S2 — CID 46583741

IUPAC2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2nc(N)c3c(C)c(C)sc3n2)c(C)c1
InChIInChI=1S/C20H23N5O2S2/c1-9-6-7-14(10(2)8-9)22-19(27)24-17(26)13(5)29-20-23-16(21)15-11(3)12(4)28-18(15)25-20/h6-8,13H,1-5H3,(H2,21,23,25)(H2,22,24,26,27)
InChIKeyRTWCHQHDIIQARB-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.34
Rot. Bonds4

About 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide (PubChem CID 46583741) has the molecular formula C20H23N5O2S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
PubChem CID46583741
Molecular FormulaC20H23N5O2S2
Molecular Weight429.57 g/mol
Exact Mass429.13
IUPAC Name2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2nc(N)c3c(C)c(C)sc3n2)c(C)c1
InChIInChI=1S/C20H23N5O2S2/c1-9-6-7-14(10(2)8-9)22-19(27)24-17(26)13(5)29-20-23-16(21)15-11(3)12(4)28-18(15)25-20/h6-8,13H,1-5H3,(H2,21,23,25)(H2,22,24,26,27)
InChIKeyRTWCHQHDIIQARB-UHFFFAOYSA-N
XLogP4.34
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 25332600
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 43046729
2-(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 55533561
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 3221524
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 43058582
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 46572840
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362604
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 863594
ethyl 4-amino-2-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 3168505
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 112815810
2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 24651837
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4-difluorophenyl)acetamide
CID 46572910

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide (CID 46583741) is 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide is Cc1ccc(NC(=O)NC(=O)C(C)Sc2nc(N)c3c(C)c(C)sc3n2)c(C)c1.
What is the InChIKey of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The InChIKey is RTWCHQHDIIQARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S2/c1-9-6-7-14(10(2)8-9)22-19(27)24-17(26)13(5)29-20-23-16(21)15-11(3)12(4)28-18(15)25-20/h6-8,13H,1-5H3,(H2,21,23,25)(H2,22,24,26,27).
What are the key properties of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide has a molecular weight of 429.57 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 46583741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).