N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine

C15H18FN3O — CID 143652214

IUPACN-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1nc(C)cc(NCCc2c(C)cccc2F)n1
InChIInChI=1S/C15H18FN3O/c1-10-5-4-6-13(16)12(10)7-8-17-14-9-11(2)18-15(19-14)20-3/h4-6,9H,7-8H2,1-3H3,(H,17,18,19)
InChIKeySTIXKJFCONVXIR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine

N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine (PubChem CID 143652214) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine
PubChem CID143652214
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1nc(C)cc(NCCc2c(C)cccc2F)n1
InChIInChI=1S/C15H18FN3O/c1-10-5-4-6-13(16)12(10)7-8-17-14-9-11(2)18-15(19-14)20-3/h4-6,9H,7-8H2,1-3H3,(H,17,18,19)
InChIKeySTIXKJFCONVXIR-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxycarbonyloxyethyl 3-[6-[2-(2-fluoro-6-methylphenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoate
CID 143652215
N-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-amine
CID 146148995
2-[[3-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]methoxy]acetic acid
CID 11698018
2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide
CID 69069753
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43738958
3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 154735878
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine
CID 141138716
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine
CID 143652236
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine (CID 143652214) is N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine is COc1nc(C)cc(NCCc2c(C)cccc2F)n1.
What is the InChIKey of N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine?
The InChIKey is STIXKJFCONVXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-5-4-6-13(16)12(10)7-8-17-14-9-11(2)18-15(19-14)20-3/h4-6,9H,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine?
N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine is sourced from PubChem (CID 143652214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).