[4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

C12H20N4O — CID 112753233

IUPAC[4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1cc(NC2CCC(CO)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-13-11-6-12(15-8-14-11)16-10-4-2-9(7-17)3-5-10/h6,8-10,17H,2-5,7H2,1H3,(H2,13,14,15,16)
InChIKeyAGJSXGQXWDDDEM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.48
Rot. Bonds4

About [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

[4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 112753233) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID112753233
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1cc(NC2CCC(CO)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-13-11-6-12(15-8-14-11)16-10-4-2-9(7-17)3-5-10/h6,8-10,17H,2-5,7H2,1H3,(H2,13,14,15,16)
InChIKeyAGJSXGQXWDDDEM-UHFFFAOYSA-N
XLogP1.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (CID 112753233) is [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is CNc1cc(NC2CCC(CO)CC2)ncn1.
What is the InChIKey of [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is AGJSXGQXWDDDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-11-6-12(15-8-14-11)16-10-4-2-9(7-17)3-5-10/h6,8-10,17H,2-5,7H2,1H3,(H2,13,14,15,16).
What are the key properties of [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
[4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 236.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 112753233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).