6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

C15H18BrN3O — CID 106192890

IUPAC6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCc2ccccc2COC)n1
InChIInChI=1S/C15H18BrN3O/c1-3-14-18-13(16)8-15(19-14)17-9-11-6-4-5-7-12(11)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyPSSSYHKRIGVGCR-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.56
Rot. Bonds6

About 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 106192890) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID106192890
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCc2ccccc2COC)n1
InChIInChI=1S/C15H18BrN3O/c1-3-14-18-13(16)8-15(19-14)17-9-11-6-4-5-7-12(11)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyPSSSYHKRIGVGCR-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 114701517
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
6-bromo-N-[(2-nitrophenyl)methyl]-2-propylpyrimidin-4-amine
CID 106194622
2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934372
N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine
CID 62482630
4-N-[(2-chlorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933100
2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 103412284
6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106405420
4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 114156429
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (CID 106192890) is 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is CCc1nc(Br)cc(NCc2ccccc2COC)n1.
What is the InChIKey of 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is PSSSYHKRIGVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-14-18-13(16)8-15(19-14)17-9-11-6-4-5-7-12(11)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 106192890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).