N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine

C20H27BrN4O — CID 10549990

IUPACN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(N2CCOCC2)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C20H27BrN4O/c1-5-25(18-7-6-16(14(2)3)13-17(18)21)20-22-15(4)12-19(23-20)24-8-10-26-11-9-24/h6-7,12-14H,5,8-11H2,1-4H3
InChIKeyDQSVEQFHEZHQRX-UHFFFAOYSA-N
MW419.37 g/mol
LogP4.67
Rot. Bonds5

About N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine

N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 10549990) has the molecular formula C20H27BrN4O and a molecular weight of 419.37 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID10549990
Molecular FormulaC20H27BrN4O
Molecular Weight419.37 g/mol
Exact Mass418.14
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(N2CCOCC2)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C20H27BrN4O/c1-5-25(18-7-6-16(14(2)3)13-17(18)21)20-22-15(4)12-19(23-20)24-8-10-26-11-9-24/h6-7,12-14H,5,8-11H2,1-4H3
InChIKeyDQSVEQFHEZHQRX-UHFFFAOYSA-N
XLogP4.67
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine (CID 10549990) is N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine is CCN(c1nc(C)cc(N2CCOCC2)n1)c1ccc(C(C)C)cc1Br.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is DQSVEQFHEZHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN4O/c1-5-25(18-7-6-16(14(2)3)13-17(18)21)20-22-15(4)12-19(23-20)24-8-10-26-11-9-24/h6-7,12-14H,5,8-11H2,1-4H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 419.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 10549990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).