3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol

C14H27N5O2 — CID 106118553

IUPAC3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
SMILESCCCNc1nc(NCC(CCC)CCO)nc(OC)n1
InChIInChI=1S/C14H27N5O2/c1-4-6-11(7-9-20)10-16-13-17-12(15-8-5-2)18-14(19-13)21-3/h11,20H,4-10H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyXWELGXRNITVMRI-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.91
Rot. Bonds11

About 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol

3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol (PubChem CID 106118553) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
PubChem CID106118553
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
SMILESCCCNc1nc(NCC(CCC)CCO)nc(OC)n1
InChIInChI=1S/C14H27N5O2/c1-4-6-11(7-9-20)10-16-13-17-12(15-8-5-2)18-14(19-13)21-3/h11,20H,4-10H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyXWELGXRNITVMRI-UHFFFAOYSA-N
XLogP1.91
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol with MolForge

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Related Compounds

3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 114145921
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 106115742
1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159645
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068
3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 106116866
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118510
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 104924549
3-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 106544559

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol (CID 106118553) is 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol is CCCNc1nc(NCC(CCC)CCO)nc(OC)n1.
What is the InChIKey of 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol?
The InChIKey is XWELGXRNITVMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-4-6-11(7-9-20)10-16-13-17-12(15-8-5-2)18-14(19-13)21-3/h11,20H,4-10H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol?
3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 1.91, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106118553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).