1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol

C12H21N5O2 — CID 107409062

IUPAC1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
SMILESCNc1nc(OC)nc(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-12(18)5-4-7-17(8-6-12)10-14-9(13-2)15-11(16-10)19-3/h18H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyWGEGCTFBBTUALO-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.66
Rot. Bonds3

About 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol

1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol (PubChem CID 107409062) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
PubChem CID107409062
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
SMILESCNc1nc(OC)nc(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-12(18)5-4-7-17(8-6-12)10-14-9(13-2)15-11(16-10)19-3/h18H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyWGEGCTFBBTUALO-UHFFFAOYSA-N
XLogP0.66
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80823839
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80854586
1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409153
3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 103358954
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767737
4-methoxy-N-methyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80823279
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
CID 107405815
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80807282
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol?
The IUPAC name of 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol (CID 107409062) is 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol is CNc1nc(OC)nc(N2CCCC(C)(O)CC2)n1.
What is the InChIKey of 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol?
The InChIKey is WGEGCTFBBTUALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-12(18)5-4-7-17(8-6-12)10-14-9(13-2)15-11(16-10)19-3/h18H,4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol?
1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol has a molecular weight of 267.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol is sourced from PubChem (CID 107409062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).