5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C12H11BrCl2N4O — CID 79780264

IUPAC5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ncc(Cl)cc2Cl)nc(COC)c1Br
InChIInChI=1S/C12H11BrCl2N4O/c1-16-11-9(13)8(5-20-2)18-12(19-11)10-7(15)3-6(14)4-17-10/h3-4H,5H2,1-2H3,(H,16,18,19)
InChIKeyKQPGIGSGMSCQLG-UHFFFAOYSA-N
MW378.06 g/mol
LogP3.80
Rot. Bonds4

About 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 79780264) has the molecular formula C12H11BrCl2N4O and a molecular weight of 378.06 g/mol. Its IUPAC name is 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID79780264
Molecular FormulaC12H11BrCl2N4O
Molecular Weight378.06 g/mol
Exact Mass375.95
IUPAC Name5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ncc(Cl)cc2Cl)nc(COC)c1Br
InChIInChI=1S/C12H11BrCl2N4O/c1-16-11-9(13)8(5-20-2)18-12(19-11)10-7(15)3-6(14)4-17-10/h3-4H,5H2,1-2H3,(H,16,18,19)
InChIKeyKQPGIGSGMSCQLG-UHFFFAOYSA-N
XLogP3.80
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 79780264) is 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ncc(Cl)cc2Cl)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is KQPGIGSGMSCQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N4O/c1-16-11-9(13)8(5-20-2)18-12(19-11)10-7(15)3-6(14)4-17-10/h3-4H,5H2,1-2H3,(H,16,18,19).
What are the key properties of 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 378.06 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79780264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).