2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C13H22ClN5O — CID 946953

IUPAC2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-13(2,8-20)19-12-17-10(14)16-11(18-12)15-9-6-4-3-5-7-9/h9,20H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyOIQVXBYMUAWVGX-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.45
Rot. Bonds5

About 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 946953) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID946953
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-13(2,8-20)19-12-17-10(14)16-11(18-12)15-9-6-4-3-5-7-9/h9,20H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyOIQVXBYMUAWVGX-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 946953) is 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nc(Cl)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is OIQVXBYMUAWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-13(2,8-20)19-12-17-10(14)16-11(18-12)15-9-6-4-3-5-7-9/h9,20H,3-8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 299.81 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 946953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).