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

C10H13ClFN3O — CID 79081242

IUPAC4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C10H13ClFN3O/c11-10-13-5-8(12)9(15-10)14-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H,13,14,15)
InChIKeyKPRNUGVUXHTRLI-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.98
Rot. Bonds2

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

4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 79081242) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID79081242
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C10H13ClFN3O/c11-10-13-5-8(12)9(15-10)14-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H,13,14,15)
InChIKeyKPRNUGVUXHTRLI-UHFFFAOYSA-N
XLogP1.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol (CID 79081242) is 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cl)ncc2F)CC1.
What is the InChIKey of 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is KPRNUGVUXHTRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-10-13-5-8(12)9(15-10)14-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H,13,14,15).
What are the key properties of 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 245.68 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79081242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).