4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C12H14ClN5O2 — CID 80878172

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-4-15-10-16-11(19-2)18-12(17-10)20-9-5-8(13)6-14-7-9/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyBNRDWGFPLODPHH-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.54
Rot. Bonds6

About 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80878172) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80878172
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-4-15-10-16-11(19-2)18-12(17-10)20-9-5-8(13)6-14-7-9/h5-7H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyBNRDWGFPLODPHH-UHFFFAOYSA-N
XLogP2.54
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385
4-(3-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80869841
4-chloro-6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-1,3,5-triazin-2-amine
CID 80878499
4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80875034
4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871605
4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 116691277
[4-(3,5-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80919855
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308
2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781316
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 80878172) is 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(Oc2cncc(Cl)c2)n1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is BNRDWGFPLODPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-3-4-15-10-16-11(19-2)18-12(17-10)20-9-5-8(13)6-14-7-9/h5-7H,3-4H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 295.73 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80878172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).