[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol

C10H14FN3O — CID 103880437

IUPAC[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol
SMILESCCc1ncnc(NC2(CO)CC2)c1F
InChIInChI=1S/C10H14FN3O/c1-2-7-8(11)9(13-6-12-7)14-10(5-15)3-4-10/h6,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyDTOXBQOMOKBLPV-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.11
Rot. Bonds4

About [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol

[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol (PubChem CID 103880437) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol
PubChem CID103880437
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol
SMILESCCc1ncnc(NC2(CO)CC2)c1F
InChIInChI=1S/C10H14FN3O/c1-2-7-8(11)9(13-6-12-7)14-10(5-15)3-4-10/h6,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyDTOXBQOMOKBLPV-UHFFFAOYSA-N
XLogP1.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol?
The IUPAC name of [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol (CID 103880437) is [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol is CCc1ncnc(NC2(CO)CC2)c1F.
What is the InChIKey of [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol?
The InChIKey is DTOXBQOMOKBLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-2-7-8(11)9(13-6-12-7)14-10(5-15)3-4-10/h6,15H,2-5H2,1H3,(H,12,13,14).
What are the key properties of [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol?
[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol has a molecular weight of 211.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol is sourced from PubChem (CID 103880437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).