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

C12H19FN4O — CID 80841807

IUPAC2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1ncc(F)c(NCC2CCCCC2O)n1
InChIInChI=1S/C12H19FN4O/c1-14-12-16-7-9(13)11(17-12)15-6-8-4-2-3-5-10(8)18/h7-8,10,18H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyWUZWTLGKEJAMIS-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.62
Rot. Bonds4

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

2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80841807) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80841807
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1ncc(F)c(NCC2CCCCC2O)n1
InChIInChI=1S/C12H19FN4O/c1-14-12-16-7-9(13)11(17-12)15-6-8-4-2-3-5-10(8)18/h7-8,10,18H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyWUZWTLGKEJAMIS-UHFFFAOYSA-N
XLogP1.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 80841807) is 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CNc1ncc(F)c(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is WUZWTLGKEJAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-14-12-16-7-9(13)11(17-12)15-6-8-4-2-3-5-10(8)18/h7-8,10,18H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 254.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80841807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).