N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide

C20H16BrN5O — CID 56662957

IUPACN-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3c(Br)cccc23)cc1
InChIInChI=1S/C20H16BrN5O/c1-11(27)25-13-7-5-12(6-8-13)15-9-24-20(22)26-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
InChIKeyOMYNTAVJGIMZEG-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.59
Rot. Bonds3

About N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide

N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide (PubChem CID 56662957) has the molecular formula C20H16BrN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide
PubChem CID56662957
Molecular FormulaC20H16BrN5O
Molecular Weight422.29 g/mol
Exact Mass421.05
IUPAC NameN-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3c(Br)cccc23)cc1
InChIInChI=1S/C20H16BrN5O/c1-11(27)25-13-7-5-12(6-8-13)15-9-24-20(22)26-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
InChIKeyOMYNTAVJGIMZEG-UHFFFAOYSA-N
XLogP4.59
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide (CID 56662957) is N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3c(Br)cccc23)cc1.
What is the InChIKey of N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is OMYNTAVJGIMZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O/c1-11(27)25-13-7-5-12(6-8-13)15-9-24-20(22)26-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H,25,27)(H2,22,24,26).
What are the key properties of N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide?
N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 422.29 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-4-(7-bromo-1H-indol-3-yl)pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 56662957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).