N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine

C19H26BrN3 — CID 10667231

IUPACN-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine
SMILESCCc1cc(CC)nc(N(CC)c2ccc(C(C)C)cc2Br)n1
InChIInChI=1S/C19H26BrN3/c1-6-15-12-16(7-2)22-19(21-15)23(8-3)18-10-9-14(13(4)5)11-17(18)20/h9-13H,6-8H2,1-5H3
InChIKeyPVKUTXRKMKETMN-UHFFFAOYSA-N
MW376.34 g/mol
LogP5.65
Rot. Bonds6

About N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine

N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine (PubChem CID 10667231) has the molecular formula C19H26BrN3 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine
PubChem CID10667231
Molecular FormulaC19H26BrN3
Molecular Weight376.34 g/mol
Exact Mass375.13
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine
SMILESCCc1cc(CC)nc(N(CC)c2ccc(C(C)C)cc2Br)n1
InChIInChI=1S/C19H26BrN3/c1-6-15-12-16(7-2)22-19(21-15)23(8-3)18-10-9-14(13(4)5)11-17(18)20/h9-13H,6-8H2,1-5H3
InChIKeyPVKUTXRKMKETMN-UHFFFAOYSA-N
XLogP5.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine (CID 10667231) is N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine is CCc1cc(CC)nc(N(CC)c2ccc(C(C)C)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine?
The InChIKey is PVKUTXRKMKETMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3/c1-6-15-12-16(7-2)22-19(21-15)23(8-3)18-10-9-14(13(4)5)11-17(18)20/h9-13H,6-8H2,1-5H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine?
N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine has a molecular weight of 376.34 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-triethylpyrimidin-2-amine is sourced from PubChem (CID 10667231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).