[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

C13H22N4O — CID 80833509

IUPAC[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCCNc1nccc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-2-14-12-15-9-6-11(16-12)17-13(10-18)7-4-3-5-8-13/h6,9,18H,2-5,7-8,10H2,1H3,(H2,14,15,16,17)
InChIKeyFJGIJEZVEUBUHE-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.02
Rot. Bonds5

About [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 80833509) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID80833509
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCCNc1nccc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-2-14-12-15-9-6-11(16-12)17-13(10-18)7-4-3-5-8-13/h6,9,18H,2-5,7-8,10H2,1H3,(H2,14,15,16,17)
InChIKeyFJGIJEZVEUBUHE-UHFFFAOYSA-N
XLogP2.02
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (CID 80833509) is [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is CCNc1nccc(NC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is FJGIJEZVEUBUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-14-12-15-9-6-11(16-12)17-13(10-18)7-4-3-5-8-13/h6,9,18H,2-5,7-8,10H2,1H3,(H2,14,15,16,17).
What are the key properties of [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 250.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 80833509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).