N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine

C10H9BrN4O — CID 163235584

IUPACN-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(Nc2cc(Br)ccn2)ncn1
InChIInChI=1S/C10H9BrN4O/c1-16-10-5-9(13-6-14-10)15-8-4-7(11)2-3-12-8/h2-6H,1H3,(H,12,13,14,15)
InChIKeyIBPKPKPAWSEIOB-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.39
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine

N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine (PubChem CID 163235584) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine
PubChem CID163235584
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC NameN-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(Nc2cc(Br)ccn2)ncn1
InChIInChI=1S/C10H9BrN4O/c1-16-10-5-9(13-6-14-10)15-8-4-7(11)2-3-12-8/h2-6H,1H3,(H,12,13,14,15)
InChIKeyIBPKPKPAWSEIOB-UHFFFAOYSA-N
XLogP2.39
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine
CID 167947358
N-[2-(1-chloroethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66317871
N-[3-(chloromethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66318087
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine
CID 118249370
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
4-bromo-2-ethoxypyridine
CID 2762557
2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
CID 66327855

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine (CID 163235584) is N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine is COc1cc(Nc2cc(Br)ccn2)ncn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine?
The InChIKey is IBPKPKPAWSEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-16-10-5-9(13-6-14-10)15-8-4-7(11)2-3-12-8/h2-6H,1H3,(H,12,13,14,15).
What are the key properties of N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine?
N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine has a molecular weight of 281.11 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 163235584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).