6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine

C12H16N6O — CID 117092308

IUPAC6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2cccnc2)nc(OC)n1
InChIInChI=1S/C12H16N6O/c1-3-6-14-10-16-11(18-12(17-10)19-2)15-9-5-4-7-13-8-9/h4-5,7-8H,3,6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyVBXZEXCYPVGCIJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.84
Rot. Bonds6

About 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 117092308) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID117092308
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2cccnc2)nc(OC)n1
InChIInChI=1S/C12H16N6O/c1-3-6-14-10-16-11(18-12(17-10)19-2)15-9-5-4-7-13-8-9/h4-5,7-8H,3,6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyVBXZEXCYPVGCIJ-UHFFFAOYSA-N
XLogP1.84
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117093191
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
6-methoxy-2-N-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80775435
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80750770
2-N-(2-bromophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80761372
2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 56695154
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107604531
6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80854981
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine (CID 117092308) is 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Nc2cccnc2)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is VBXZEXCYPVGCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-6-14-10-16-11(18-12(17-10)19-2)15-9-5-4-7-13-8-9/h4-5,7-8H,3,6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117092308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).