4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine

C13H16ClN5O — CID 62864682

IUPAC4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2cccc(C)n2)n1
InChIInChI=1S/C13H16ClN5O/c1-3-7-20-13-18-11(14)17-12(19-13)15-8-10-6-4-5-9(2)16-10/h4-6H,3,7-8H2,1-2H3,(H,15,17,18,19)
InChIKeyIGPUEXJAYMRTBY-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.63
Rot. Bonds6

About 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62864682) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62864682
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2cccc(C)n2)n1
InChIInChI=1S/C13H16ClN5O/c1-3-7-20-13-18-11(14)17-12(19-13)15-8-10-6-4-5-9(2)16-10/h4-6H,3,7-8H2,1-2H3,(H,15,17,18,19)
InChIKeyIGPUEXJAYMRTBY-UHFFFAOYSA-N
XLogP2.63
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79755619
4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194334
4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 55205368
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
6-methoxy-4-N-methyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80821680
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
N-(2-bromo-3-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 103481042
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine (CID 62864682) is 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCc2cccc(C)n2)n1.
What is the InChIKey of 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is IGPUEXJAYMRTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-3-7-20-13-18-11(14)17-12(19-13)15-8-10-6-4-5-9(2)16-10/h4-6H,3,7-8H2,1-2H3,(H,15,17,18,19).
What are the key properties of 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 293.76 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).