N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine

C15H17BrFN3O — CID 115974686

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C15H17BrFN3O/c1-9(2)21-14-6-10(3)19-15(20-14)18-8-11-7-12(16)4-5-13(11)17/h4-7,9H,8H2,1-3H3,(H,18,19,20)
InChIKeyFVYYCSLBCWGCPZ-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.09
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 115974686) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID115974686
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C15H17BrFN3O/c1-9(2)21-14-6-10(3)19-15(20-14)18-8-11-7-12(16)4-5-13(11)17/h4-7,9H,8H2,1-3H3,(H,18,19,20)
InChIKeyFVYYCSLBCWGCPZ-UHFFFAOYSA-N
XLogP4.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637367
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637759
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115974766
4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
CID 107159428
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 115974686) is N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NCc2cc(Br)ccc2F)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is FVYYCSLBCWGCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-9(2)21-14-6-10(3)19-15(20-14)18-8-11-7-12(16)4-5-13(11)17/h4-7,9H,8H2,1-3H3,(H,18,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 354.22 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115974686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).