[2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine

C11H10Br2N4 — CID 114205944

IUPAC[2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(-c2ncc(Br)cc2Br)ncc1CN
InChIInChI=1S/C11H10Br2N4/c1-6-7(3-14)4-16-11(17-6)10-9(13)2-8(12)5-15-10/h2,4-5H,3,14H2,1H3
InChIKeyJKWXXFJMVWLWFU-UHFFFAOYSA-N
MW358.04 g/mol
LogP2.83
Rot. Bonds2

About [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine

[2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 114205944) has the molecular formula C11H10Br2N4 and a molecular weight of 358.04 g/mol. Its IUPAC name is [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine
PubChem CID114205944
Molecular FormulaC11H10Br2N4
Molecular Weight358.04 g/mol
Exact Mass355.93
IUPAC Name[2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(-c2ncc(Br)cc2Br)ncc1CN
InChIInChI=1S/C11H10Br2N4/c1-6-7(3-14)4-16-11(17-6)10-9(13)2-8(12)5-15-10/h2,4-5H,3,14H2,1H3
InChIKeyJKWXXFJMVWLWFU-UHFFFAOYSA-N
XLogP2.83
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.04
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 113394016
1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine
CID 113398724
[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205926
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
(3,5-dibromo-2-pyridinyl)methanamine;hydrochloride
CID 133055680
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
CID 83195620
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185731
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182243
5-[1-(azetidin-3-yl)ethyl]-3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazole
CID 116682642
3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 62286034

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine (CID 114205944) is [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(-c2ncc(Br)cc2Br)ncc1CN.
What is the InChIKey of [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is JKWXXFJMVWLWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4/c1-6-7(3-14)4-16-11(17-6)10-9(13)2-8(12)5-15-10/h2,4-5H,3,14H2,1H3.
What are the key properties of [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine?
[2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 358.04 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).