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

C14H18FN5O — CID 104739326

IUPAC4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)C)nc(-c2ccncc2F)n1
InChIInChI=1S/C14H18FN5O/c1-4-6-17-13-18-12(10-5-7-16-8-11(10)15)19-14(20-13)21-9(2)3/h5,7-9H,4,6H2,1-3H3,(H,17,18,19,20)
InChIKeyHAXRHFJTXZCJFP-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.68
Rot. Bonds6

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

4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 104739326) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID104739326
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)C)nc(-c2ccncc2F)n1
InChIInChI=1S/C14H18FN5O/c1-4-6-17-13-18-12(10-5-7-16-8-11(10)15)19-14(20-13)21-9(2)3/h5,7-9H,4,6H2,1-3H3,(H,17,18,19,20)
InChIKeyHAXRHFJTXZCJFP-UHFFFAOYSA-N
XLogP2.68
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 79743156
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80842496
4-(2-bromophenyl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503733
2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 66274240
2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine
CID 104739155
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115505268
N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 104739327
2-N-(1-methylpyrazol-3-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836931
4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503015

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (CID 104739326) is 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC(C)C)nc(-c2ccncc2F)n1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is HAXRHFJTXZCJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-4-6-17-13-18-12(10-5-7-16-8-11(10)15)19-14(20-13)21-9(2)3/h5,7-9H,4,6H2,1-3H3,(H,17,18,19,20).
What are the key properties of 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 104739326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).