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

C13H21FN4O — CID 80770305

IUPAC4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C13H21FN4O/c1-2-7-15-13-16-8-11(14)12(18-13)17-9-3-5-10(19)6-4-9/h8-10,19H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyQWDUHPZELIZMFX-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.15
Rot. Bonds5

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

4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80770305) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80770305
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C13H21FN4O/c1-2-7-15-13-16-8-11(14)12(18-13)17-9-3-5-10(19)6-4-9/h8-10,19H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyQWDUHPZELIZMFX-UHFFFAOYSA-N
XLogP2.15
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.15
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-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80770305) is 4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCCNc1ncc(F)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QWDUHPZELIZMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-2-7-15-13-16-8-11(14)12(18-13)17-9-3-5-10(19)6-4-9/h8-10,19H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 268.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80770305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).