4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H17FN4O2 — CID 115505268

IUPAC4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(-c2ccc(OC)cc2F)n1
InChIInChI=1S/C14H17FN4O2/c1-8(2)21-14-18-12(17-13(16-3)19-14)10-6-5-9(20-4)7-11(10)15/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyOKYPCUDMKPWDMN-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.52
Rot. Bonds5

About 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 115505268) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID115505268
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(-c2ccc(OC)cc2F)n1
InChIInChI=1S/C14H17FN4O2/c1-8(2)21-14-18-12(17-13(16-3)19-14)10-6-5-9(20-4)7-11(10)15/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyOKYPCUDMKPWDMN-UHFFFAOYSA-N
XLogP2.52
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503015
2-N-(2-fluoro-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80729258
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 81305150
2-N,4-N-dimethyl-2-N-(3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80795763
4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 104739326
5-(1-aminoethyl)-4-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82541782
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80790304
4-(2-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 102882416
3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine
CID 102753823
2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830555

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 115505268) is 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(-c2ccc(OC)cc2F)n1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is OKYPCUDMKPWDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-8(2)21-14-18-12(17-13(16-3)19-14)10-6-5-9(20-4)7-11(10)15/h5-8H,1-4H3,(H,16,17,18,19).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 292.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 115505268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).