4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C11H17FN4O — CID 80770213

IUPAC4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(16-11)15-7-2-4-8(17)5-3-7/h6-8,17H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyMHGWLBCAEMQXHQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.37
Rot. Bonds3

About 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80770213) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80770213
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(16-11)15-7-2-4-8(17)5-3-7/h6-8,17H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyMHGWLBCAEMQXHQ-UHFFFAOYSA-N
XLogP1.37
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80770213) is 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CNc1ncc(F)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is MHGWLBCAEMQXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(16-11)15-7-2-4-8(17)5-3-7/h6-8,17H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 240.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80770213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).