[2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

C15H25FN4O — CID 80832215

IUPAC[2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCCCNc1ncc(F)c(NCC2CCCCC2CO)n1
InChIInChI=1S/C15H25FN4O/c1-2-7-17-15-19-9-13(16)14(20-15)18-8-11-5-3-4-6-12(11)10-21/h9,11-12,21H,2-8,10H2,1H3,(H2,17,18,19,20)
InChIKeyCFLQRCFBWKAHBC-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.65
Rot. Bonds7

About [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

[2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (PubChem CID 80832215) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
PubChem CID80832215
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC Name[2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCCCNc1ncc(F)c(NCC2CCCCC2CO)n1
InChIInChI=1S/C15H25FN4O/c1-2-7-17-15-19-9-13(16)14(20-15)18-8-11-5-3-4-6-12(11)10-21/h9,11-12,21H,2-8,10H2,1H3,(H2,17,18,19,20)
InChIKeyCFLQRCFBWKAHBC-UHFFFAOYSA-N
XLogP2.65
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.65
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-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (CID 80832215) is [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is CCCNc1ncc(F)c(NCC2CCCCC2CO)n1.
What is the InChIKey of [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The InChIKey is CFLQRCFBWKAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O/c1-2-7-17-15-19-9-13(16)14(20-15)18-8-11-5-3-4-6-12(11)10-21/h9,11-12,21H,2-8,10H2,1H3,(H2,17,18,19,20).
What are the key properties of [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
[2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol has a molecular weight of 296.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 80832215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).