4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

C12H21N5O2 — CID 106138618

IUPAC4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCOc1nc(N)nc(NCC2CCC(O)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-2-19-12-16-10(13)15-11(17-12)14-7-8-3-5-9(18)6-4-8/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyDLURHNYCTMYIPY-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.82
Rot. Bonds5

About 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106138618) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106138618
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCOc1nc(N)nc(NCC2CCC(O)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-2-19-12-16-10(13)15-11(17-12)14-7-8-3-5-9(18)6-4-8/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyDLURHNYCTMYIPY-UHFFFAOYSA-N
XLogP0.82
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 114148716
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80822880
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80838442
3-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138385
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
[2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol
CID 106368115
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
2-N-(2,3-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80777218
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 106138618) is 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is CCOc1nc(N)nc(NCC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is DLURHNYCTMYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-19-12-16-10(13)15-11(17-12)14-7-8-3-5-9(18)6-4-8/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).