N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide

C14H15BrN4O — CID 163047954

IUPACN-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide
SMILESCC(=O)NC1=NCC[C@H](c2c[nH]c3ccc(Br)cc23)N1
InChIInChI=1S/C14H15BrN4O/c1-8(20)18-14-16-5-4-13(19-14)11-7-17-12-3-2-9(15)6-10(11)12/h2-3,6-7,13,17H,4-5H2,1H3,(H2,16,18,19,20)/t13-/m1/s1
InChIKeyBXUVFNWDBMCEKT-CYBMUJFWSA-N
MW335.21 g/mol
LogP2.46
Rot. Bonds1

About N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide

N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide (PubChem CID 163047954) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide
PubChem CID163047954
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide
SMILESCC(=O)NC1=NCC[C@H](c2c[nH]c3ccc(Br)cc23)N1
InChIInChI=1S/C14H15BrN4O/c1-8(20)18-14-16-5-4-13(19-14)11-7-17-12-3-2-9(15)6-10(11)12/h2-3,6-7,13,17H,4-5H2,1H3,(H2,16,18,19,20)/t13-/m1/s1
InChIKeyBXUVFNWDBMCEKT-CYBMUJFWSA-N
XLogP2.46
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide
CID 16718384
N-[(6S)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide
CID 163190873
5-bromo-3-cyclopropyl-1H-indole
CID 103863095
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
N-(6-bromo-1H-indol-3-yl)acetamide
CID 70122849
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(3S,6S)-3,6-bis(5-bromo-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 1238850
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 15326275
5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole
CID 106985642
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide?
The IUPAC name of N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide (CID 163047954) is N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide?
The canonical SMILES for N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide is CC(=O)NC1=NCC[C@H](c2c[nH]c3ccc(Br)cc23)N1.
What is the InChIKey of N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide?
The InChIKey is BXUVFNWDBMCEKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-8(20)18-14-16-5-4-13(19-14)11-7-17-12-3-2-9(15)6-10(11)12/h2-3,6-7,13,17H,4-5H2,1H3,(H2,16,18,19,20)/t13-/m1/s1.
What are the key properties of N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide?
N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide has a molecular weight of 335.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide is sourced from PubChem (CID 163047954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).