5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine

C15H18BrN3O — CID 106998750

IUPAC5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
SMILESCCN(Cc1ccccc1C)c1ncc(Br)c(OC)n1
InChIInChI=1S/C15H18BrN3O/c1-4-19(10-12-8-6-5-7-11(12)2)15-17-9-13(16)14(18-15)20-3/h5-9H,4,10H2,1-3H3
InChIKeyRZFIHCFISMPLMF-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.58
Rot. Bonds5

About 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine

5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 106998750) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID106998750
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
SMILESCCN(Cc1ccccc1C)c1ncc(Br)c(OC)n1
InChIInChI=1S/C15H18BrN3O/c1-4-19(10-12-8-6-5-7-11(12)2)15-17-9-13(16)14(18-15)20-3/h5-9H,4,10H2,1-3H3
InChIKeyRZFIHCFISMPLMF-UHFFFAOYSA-N
XLogP3.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
CID 106998751
N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133383992
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
CID 62475354
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
N-(azetidin-3-yl)-5-bromo-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998192
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine (CID 106998750) is 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine is CCN(Cc1ccccc1C)c1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is RZFIHCFISMPLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-19(10-12-8-6-5-7-11(12)2)15-17-9-13(16)14(18-15)20-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 106998750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).