N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C12H12BrN5OS — CID 1143775

IUPACN-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN5OS/c13-7-3-1-2-4-8(7)16-11(19)6-20-12-17-9(14)5-10(15)18-12/h1-5H,6H2,(H,16,19)(H4,14,15,17,18)
InChIKeyFAOAHHMNRPBJMO-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.13
Rot. Bonds4

About N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 1143775) has the molecular formula C12H12BrN5OS and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID1143775
Molecular FormulaC12H12BrN5OS
Molecular Weight354.23 g/mol
Exact Mass352.99
IUPAC NameN-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN5OS/c13-7-3-1-2-4-8(7)16-11(19)6-20-12-17-9(14)5-10(15)18-12/h1-5H,6H2,(H,16,19)(H4,14,15,17,18)
InChIKeyFAOAHHMNRPBJMO-UHFFFAOYSA-N
XLogP2.13
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 3138497
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61296037
N-(4-bromo-2-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1304646
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 82841973
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 5147520
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide
CID 4746027
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide
CID 164617835

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 1143775) is N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is Nc1cc(N)nc(SCC(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is FAOAHHMNRPBJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5OS/c13-7-3-1-2-4-8(7)16-11(19)6-20-12-17-9(14)5-10(15)18-12/h1-5H,6H2,(H,16,19)(H4,14,15,17,18).
What are the key properties of N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 354.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1143775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).