1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol

C14H25N5O2 — CID 114953966

IUPAC1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCNc1nc(OCC)nc(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C14H25N5O2/c1-4-15-11-16-12(18-13(17-11)21-5-2)19(3)10-14(20)8-6-7-9-14/h20H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyGMBQGNPCKBVOHC-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.44
Rot. Bonds7

About 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol

1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114953966) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114953966
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCNc1nc(OCC)nc(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C14H25N5O2/c1-4-15-11-16-12(18-13(17-11)21-5-2)19(3)10-14(20)8-6-7-9-14/h20H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyGMBQGNPCKBVOHC-UHFFFAOYSA-N
XLogP1.44
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303
6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80823798
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80829131
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80767664
6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80809793

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol (CID 114953966) is 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol is CCNc1nc(OCC)nc(N(C)CC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is GMBQGNPCKBVOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-15-11-16-12(18-13(17-11)21-5-2)19(3)10-14(20)8-6-7-9-14/h20H,4-10H2,1-3H3,(H,15,16,17,18).
What are the key properties of 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114953966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).