1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C10H13ClFN3O — CID 79075698

IUPAC1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nc(Cl)ncc2F)CCCC1
InChIInChI=1S/C10H13ClFN3O/c11-9-13-5-7(12)8(15-9)14-6-10(16)3-1-2-4-10/h5,16H,1-4,6H2,(H,13,14,15)
InChIKeyAUIKGSZQPDZQHB-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.99
Rot. Bonds3

About 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 79075698) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID79075698
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nc(Cl)ncc2F)CCCC1
InChIInChI=1S/C10H13ClFN3O/c11-9-13-5-7(12)8(15-9)14-6-10(16)3-1-2-4-10/h5,16H,1-4,6H2,(H,13,14,15)
InChIKeyAUIKGSZQPDZQHB-UHFFFAOYSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 79075698) is 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is OC1(CNc2nc(Cl)ncc2F)CCCC1.
What is the InChIKey of 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is AUIKGSZQPDZQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-9-13-5-7(12)8(15-9)14-6-10(16)3-1-2-4-10/h5,16H,1-4,6H2,(H,13,14,15).
What are the key properties of 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 245.68 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79075698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).