[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol

C13H22ClN5O — CID 80831993

IUPAC[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol
SMILESCCNc1nc(Cl)nc(NC2(CO)CCCC(C)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-15-11-16-10(14)17-12(18-11)19-13(8-20)6-4-5-9(2)7-13/h9,20H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyMVSJKGAMQWVFAX-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.31
Rot. Bonds5

About [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol

[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol (PubChem CID 80831993) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol
PubChem CID80831993
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol
SMILESCCNc1nc(Cl)nc(NC2(CO)CCCC(C)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-15-11-16-10(14)17-12(18-11)19-13(8-20)6-4-5-9(2)7-13/h9,20H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyMVSJKGAMQWVFAX-UHFFFAOYSA-N
XLogP2.31
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 62858736
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
CID 80803825
[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80919691
[1-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 112637527
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80934546
[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol
CID 102918762
2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile
CID 83076666

Frequently Asked Questions

What is the IUPAC name of [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol (CID 80831993) is [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol is CCNc1nc(Cl)nc(NC2(CO)CCCC(C)C2)n1.
What is the InChIKey of [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol?
The InChIKey is MVSJKGAMQWVFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-15-11-16-10(14)17-12(18-11)19-13(8-20)6-4-5-9(2)7-13/h9,20H,3-8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol?
[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol has a molecular weight of 299.81 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 80831993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).