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

C14H25N5O2 — CID 80829131

IUPAC1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
SMILESCCNc1nc(NCC2(O)CCCCCC2)nc(OC)n1
InChIInChI=1S/C14H25N5O2/c1-3-15-11-17-12(19-13(18-11)21-2)16-10-14(20)8-6-4-5-7-9-14/h20H,3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyGIFFXUCKEHJGCJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.81
Rot. Bonds6

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

1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol (PubChem CID 80829131) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
PubChem CID80829131
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
SMILESCCNc1nc(NCC2(O)CCCCCC2)nc(OC)n1
InChIInChI=1S/C14H25N5O2/c1-3-15-11-17-12(19-13(18-11)21-2)16-10-14(20)8-6-4-5-7-9-14/h20H,3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyGIFFXUCKEHJGCJ-UHFFFAOYSA-N
XLogP1.81
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897
1-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80909114
4-ethyl-1-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80827568
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172
4-ethyl-1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80920706
1-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915857
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80846170
2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749654
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
CID 80847841
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol (CID 80829131) is 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol is CCNc1nc(NCC2(O)CCCCCC2)nc(OC)n1.
What is the InChIKey of 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol?
The InChIKey is GIFFXUCKEHJGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-15-11-17-12(19-13(18-11)21-2)16-10-14(20)8-6-4-5-7-9-14/h20H,3-10H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol?
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 80829131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).