5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine

C14H15Br2N3O — CID 66295402

IUPAC5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(Br)ccc2OC)nc(NC)c1Br
InChIInChI=1S/C14H15Br2N3O/c1-4-10-12(16)14(17-2)19-13(18-10)9-7-8(15)5-6-11(9)20-3/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyMBWQKLKFESEFGM-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.28
Rot. Bonds4

About 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine

5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 66295402) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID66295402
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(Br)ccc2OC)nc(NC)c1Br
InChIInChI=1S/C14H15Br2N3O/c1-4-10-12(16)14(17-2)19-13(18-10)9-7-8(15)5-6-11(9)20-3/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyMBWQKLKFESEFGM-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295791
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66297909
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62204247
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 63479481
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
3-(5-bromo-2-methoxyphenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 82490051
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320244

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine (CID 66295402) is 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(-c2cc(Br)ccc2OC)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is MBWQKLKFESEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O/c1-4-10-12(16)14(17-2)19-13(18-10)9-7-8(15)5-6-11(9)20-3/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 401.10 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66295402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).