4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol

C12H19FN4O — CID 80770216

IUPAC4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-12-15-7-10(13)11(17-12)16-8-3-5-9(18)6-4-8/h7-9,18H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyNRBPBODCGIWSTH-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.76
Rot. Bonds4

About 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80770216) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80770216
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-12-15-7-10(13)11(17-12)16-8-3-5-9(18)6-4-8/h7-9,18H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyNRBPBODCGIWSTH-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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CID 164633400
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80770216) is 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol is CCNc1ncc(F)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is NRBPBODCGIWSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-14-12-15-7-10(13)11(17-12)16-8-3-5-9(18)6-4-8/h7-9,18H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 254.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80770216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).