4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine

C13H14ClFN4O2 — CID 114840485

IUPAC4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(F)c(OC)c2)n1
InChIInChI=1S/C13H14ClFN4O2/c1-3-6-21-13-18-11(14)17-12(19-13)16-8-4-5-9(15)10(7-8)20-2/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyVATVRTBOWGHGCB-UHFFFAOYSA-N
MW312.73 g/mol
LogP3.21
Rot. Bonds6

About 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 114840485) has the molecular formula C13H14ClFN4O2 and a molecular weight of 312.73 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID114840485
Molecular FormulaC13H14ClFN4O2
Molecular Weight312.73 g/mol
Exact Mass312.08
IUPAC Name4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(F)c(OC)c2)n1
InChIInChI=1S/C13H14ClFN4O2/c1-3-6-21-13-18-11(14)17-12(19-13)16-8-4-5-9(15)10(7-8)20-2/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyVATVRTBOWGHGCB-UHFFFAOYSA-N
XLogP3.21
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 104780303
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869859
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
N-(5-bromo-2-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63548891
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
N-(4-bromo-2,5-difluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 107614894
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62871544
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine (CID 114840485) is 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(Nc2ccc(F)c(OC)c2)n1.
What is the InChIKey of 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is VATVRTBOWGHGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2/c1-3-6-21-13-18-11(14)17-12(19-13)16-8-4-5-9(15)10(7-8)20-2/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 312.73 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114840485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).