2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol

C11H18N4O3 — CID 114749654

IUPAC2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
SMILESCOc1nc(NCC2(CCO)CC2)nc(OC)n1
InChIInChI=1S/C11H18N4O3/c1-17-9-13-8(14-10(15-9)18-2)12-7-11(3-4-11)5-6-16/h16H,3-7H2,1-2H3,(H,12,13,14,15)
InChIKeyHWXRESJDRWYTDO-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.46
Rot. Bonds7

About 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114749654) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114749654
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
SMILESCOc1nc(NCC2(CCO)CC2)nc(OC)n1
InChIInChI=1S/C11H18N4O3/c1-17-9-13-8(14-10(15-9)18-2)12-7-11(3-4-11)5-6-16/h16H,3-7H2,1-2H3,(H,12,13,14,15)
InChIKeyHWXRESJDRWYTDO-UHFFFAOYSA-N
XLogP0.46
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 66107544
[1-[[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol
CID 79474627
4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 80294949
3-[[(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80296102
3-[[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80298008
3-[[(4-Chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80307915
3-[[(4-Chloro-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80308499
3-[[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80308502
3-[[[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
CID 80308916
3-Methyl-4-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80833370
4-[[4-Propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 80839403
3-[[[4-(Ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
CID 80839666

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol (CID 114749654) is 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol is COc1nc(NCC2(CCO)CC2)nc(OC)n1.
What is the InChIKey of 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is HWXRESJDRWYTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-17-9-13-8(14-10(15-9)18-2)12-7-11(3-4-11)5-6-16/h16H,3-7H2,1-2H3,(H,12,13,14,15).
What are the key properties of 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 254.29 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114749654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).