N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine

C13H14BrN3O — CID 66325047

IUPACN-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(Br)cc2)nc(C)n1
InChIInChI=1S/C13H14BrN3O/c1-9-16-12(7-13(17-9)18-2)15-8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyYESSEMROFVOXJI-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.17
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66325047) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66325047
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(Br)cc2)nc(C)n1
InChIInChI=1S/C13H14BrN3O/c1-9-16-12(7-13(17-9)18-2)15-8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyYESSEMROFVOXJI-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
4-N-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
6-methoxy-2-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66325472
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine
CID 62475587
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66325047) is N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCc2ccc(Br)cc2)nc(C)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is YESSEMROFVOXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-16-12(7-13(17-9)18-2)15-8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66325047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).