[1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol

C12H19FN4O — CID 80832372

IUPAC[1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCCNc1ncc(F)c(NC2(CO)CCCC2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-11-15-7-9(13)10(16-11)17-12(8-18)5-3-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyPGJPWRZODKRATC-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.76
Rot. Bonds5

About [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol

[1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 80832372) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID80832372
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name[1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCCNc1ncc(F)c(NC2(CO)CCCC2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-11-15-7-9(13)10(16-11)17-12(8-18)5-3-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyPGJPWRZODKRATC-UHFFFAOYSA-N
XLogP1.76
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol (CID 80832372) is [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol is CCNc1ncc(F)c(NC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is PGJPWRZODKRATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-14-11-15-7-9(13)10(16-11)17-12(8-18)5-3-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol?
[1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 254.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 80832372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).