[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride

C11H11BrClN3 — CID 82022750

IUPAC[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2ccc(Br)cc2)ncn1
InChIInChI=1S/C11H10BrN3.ClH/c12-9-3-1-8(2-4-9)11-5-10(6-13)14-7-15-11;/h1-5,7H,6,13H2;1H
InChIKeyAVPPMKJBUKKSOG-UHFFFAOYSA-N
MW300.59 g/mol
LogP2.79
Rot. Bonds2

About [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride

[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride (PubChem CID 82022750) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride
PubChem CID82022750
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2ccc(Br)cc2)ncn1
InChIInChI=1S/C11H10BrN3.ClH/c12-9-3-1-8(2-4-9)11-5-10(6-13)14-7-15-11;/h1-5,7H,6,13H2;1H
InChIKeyAVPPMKJBUKKSOG-UHFFFAOYSA-N
XLogP2.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-cyclopropylphenyl)pyrimidin-4-yl]methanamine
CID 118008230
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine
CID 144826439
2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
CID 83850617
(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 82405865
2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
CID 83849204
[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
CID 83850253
2-(6-pyridin-4-ylpyrimidin-4-yl)ethanamine
CID 83847964
[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
CID 28904662
[6-(4-bromophenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452734
N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine
CID 83849028
4-(aminomethyl)-6-(4-bromophenyl)-N-prop-2-ynylpyrimidin-2-amine
CID 87565128

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride (CID 82022750) is [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride is Cl.NCc1cc(-c2ccc(Br)cc2)ncn1.
What is the InChIKey of [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride?
The InChIKey is AVPPMKJBUKKSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3.ClH/c12-9-3-1-8(2-4-9)11-5-10(6-13)14-7-15-11;/h1-5,7H,6,13H2;1H.
What are the key properties of [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride?
[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride has a molecular weight of 300.59 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 82022750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).