6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C12H16N6O — CID 80773060

IUPAC6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCc2cccnc2)n1
InChIInChI=1S/C12H16N6O/c1-2-6-19-12-17-10(13)16-11(18-12)15-8-9-4-3-5-14-7-9/h3-5,7H,2,6,8H2,1H3,(H3,13,15,16,17,18)
InChIKeyOYCDAEHDQVKOAD-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.25
Rot. Bonds6

About 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine

6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80773060) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80773060
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCc2cccnc2)n1
InChIInChI=1S/C12H16N6O/c1-2-6-19-12-17-10(13)16-11(18-12)15-8-9-4-3-5-14-7-9/h3-5,7H,2,6,8H2,1H3,(H3,13,15,16,17,18)
InChIKeyOYCDAEHDQVKOAD-UHFFFAOYSA-N
XLogP1.25
TPSA98.84 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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
2-N-[(3-methyl-4-pyridinyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114702251
6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 43261223
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773543
2-N-[(1-methylimidazol-2-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80830560
2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771068
6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82456280
4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80773060) is 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCc2cccnc2)n1.
What is the InChIKey of 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OYCDAEHDQVKOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-6-19-12-17-10(13)16-11(18-12)15-8-9-4-3-5-14-7-9/h3-5,7H,2,6,8H2,1H3,(H3,13,15,16,17,18).
What are the key properties of 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).