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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Related Compounds

N-(2,4-dimethylphenyl)-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 697257
6-methyl-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 1868950
3-(2-Bromo-4-isopropyl-phenyl)-5-methyl-7-morpholin-4-yl-3H-thiazolo[4,5-d]pyrimidine-2-thione
CID 9890659
N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylpyrimidin-2-amine
CID 9892513
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidin-2-yl]-amine
CID 9912938
(2-Bromo-4-tert-butyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10498852
(2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10616689
(2-Bromo-4-ethyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10663467
(2-Bromo-4-butyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10666336
(2-Bromo-4-isopropyl-phenyl)-(4,6-diethyl-pyrimidin-2-yl)-ethyl-amine
CID 10667231
(2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10831554
(2-Bromo-4-isopropyl-phenyl)-[4-(2-bromo-phenyl)-6-methyl-pyrimidin-2-yl]-ethyl-amine
CID 15490815

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).