4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine

C13H24N6O — CID 80765758

IUPAC4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(N2CCCN(C)CC2)n1
InChIInChI=1S/C13H24N6O/c1-4-6-14-11-15-12(17-13(16-11)20-3)19-8-5-7-18(2)9-10-19/h4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyNYRFVZUETLRFNT-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.84
Rot. Bonds5

About 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine

4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80765758) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80765758
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(N2CCCN(C)CC2)n1
InChIInChI=1S/C13H24N6O/c1-4-6-14-11-15-12(17-13(16-11)20-3)19-8-5-7-18(2)9-10-19/h4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyNYRFVZUETLRFNT-UHFFFAOYSA-N
XLogP0.84
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80793176
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
4-methoxy-6-(1-oxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80804877
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767737
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80825850
4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795533
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887838
4-(3,3-dimethylmorpholin-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80796266

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine (CID 80765758) is 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(N2CCCN(C)CC2)n1.
What is the InChIKey of 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is NYRFVZUETLRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-6-14-11-15-12(17-13(16-11)20-3)19-8-5-7-18(2)9-10-19/h4-10H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine?
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 280.38 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80765758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).