N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline

C14H16FN3O2 — CID 43552216

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline
SMILESCOc1ncnc(OC)c1CNc1ccc(C)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9-4-5-10(6-12(9)15)16-7-11-13(19-2)17-8-18-14(11)20-3/h4-6,8,16H,7H2,1-3H3
InChIKeyNYPJDMXIBVGOPN-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.55
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline (PubChem CID 43552216) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline
PubChem CID43552216
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline
SMILESCOc1ncnc(OC)c1CNc1ccc(C)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9-4-5-10(6-12(9)15)16-7-11-13(19-2)17-8-18-14(11)20-3/h4-6,8,16H,7H2,1-3H3
InChIKeyNYPJDMXIBVGOPN-UHFFFAOYSA-N
XLogP2.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,4,5-trifluoroaniline
CID 62809831
4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline
CID 107571772
N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 78997610
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-benzothiophen-5-amine
CID 43687800
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline
CID 43552231
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
3-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-5-methoxyaniline
CID 82860183
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764382
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43552162
4-chloro-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-iodoaniline
CID 107631477
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-4-methylaniline
CID 43524753

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline (CID 43552216) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline is COc1ncnc(OC)c1CNc1ccc(C)c(F)c1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline?
The InChIKey is NYPJDMXIBVGOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-4-5-10(6-12(9)15)16-7-11-13(19-2)17-8-18-14(11)20-3/h4-6,8,16H,7H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline has a molecular weight of 277.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline is sourced from PubChem (CID 43552216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).