5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C12H12BrN3O — CID 66303664

IUPAC5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(Cc2ncc(Br)c(N)n2)cc1
InChIInChI=1S/C12H12BrN3O/c1-17-9-4-2-8(3-5-9)6-11-15-7-10(13)12(14)16-11/h2-5,7H,6H2,1H3,(H2,14,15,16)
InChIKeyKNCFYLNBSANEAY-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.42
Rot. Bonds3

About 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 66303664) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID66303664
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(Cc2ncc(Br)c(N)n2)cc1
InChIInChI=1S/C12H12BrN3O/c1-17-9-4-2-8(3-5-9)6-11-15-7-10(13)12(14)16-11/h2-5,7H,6H2,1H3,(H2,14,15,16)
InChIKeyKNCFYLNBSANEAY-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 150868351
6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66302352
1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 62770507
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116647095
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
CID 169224423
5-chloro-2-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168616
2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62190614
4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
CID 83240227
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
CID 62748660
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
CID 82022586

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 66303664) is 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(Cc2ncc(Br)c(N)n2)cc1.
What is the InChIKey of 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is KNCFYLNBSANEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-17-9-4-2-8(3-5-9)6-11-15-7-10(13)12(14)16-11/h2-5,7H,6H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66303664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).