N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide

C14H11BrN4OS — CID 17393142

IUPACN-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESO=C(CNc1ncnc2sccc12)Nc1ccccc1Br
InChIInChI=1S/C14H11BrN4OS/c15-10-3-1-2-4-11(10)19-12(20)7-16-13-9-5-6-21-14(9)18-8-17-13/h1-6,8H,7H2,(H,19,20)(H,16,17,18)
InChIKeyMHLBMYWHNMUARU-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.50
Rot. Bonds4

About N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide

N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (PubChem CID 17393142) has the molecular formula C14H11BrN4OS and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
PubChem CID17393142
Molecular FormulaC14H11BrN4OS
Molecular Weight363.24 g/mol
Exact Mass361.98
IUPAC NameN-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESO=C(CNc1ncnc2sccc12)Nc1ccccc1Br
InChIInChI=1S/C14H11BrN4OS/c15-10-3-1-2-4-11(10)19-12(20)7-16-13-9-5-6-21-14(9)18-8-17-13/h1-6,8H,7H2,(H,19,20)(H,16,17,18)
InChIKeyMHLBMYWHNMUARU-UHFFFAOYSA-N
XLogP3.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 49226606
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615382
N-(2-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614067
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide
CID 7615443
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133404654
N-(2-chlorophenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705204

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (CID 17393142) is N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is O=C(CNc1ncnc2sccc12)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The InChIKey is MHLBMYWHNMUARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4OS/c15-10-3-1-2-4-11(10)19-12(20)7-16-13-9-5-6-21-14(9)18-8-17-13/h1-6,8H,7H2,(H,19,20)(H,16,17,18).
What are the key properties of N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide has a molecular weight of 363.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is sourced from PubChem (CID 17393142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).