2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol

C12H20ClN5O — CID 102640215

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
SMILESCCNc1nc(Cl)nc(N(C)C2CCCCC2O)n1
InChIInChI=1S/C12H20ClN5O/c1-3-14-11-15-10(13)16-12(17-11)18(2)8-6-4-5-7-9(8)19/h8-9,19H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyLPPJVPWBVYACMN-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.70
Rot. Bonds4

About 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102640215) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
PubChem CID102640215
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
SMILESCCNc1nc(Cl)nc(N(C)C2CCCCC2O)n1
InChIInChI=1S/C12H20ClN5O/c1-3-14-11-15-10(13)16-12(17-11)18(2)8-6-4-5-7-9(8)19/h8-9,19H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyLPPJVPWBVYACMN-UHFFFAOYSA-N
XLogP1.70
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
CID 80811349
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 102640102
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640092
6-chloro-4-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80846060
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
CID 80780722
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
6-chloro-2-N-ethoxy-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 163693056
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol (CID 102640215) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol is CCNc1nc(Cl)nc(N(C)C2CCCCC2O)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is LPPJVPWBVYACMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-3-14-11-15-10(13)16-12(17-11)18(2)8-6-4-5-7-9(8)19/h8-9,19H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 285.78 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).