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

C10H13ClFN3O — CID 79080644

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H13ClFN3O/c11-10-13-5-6(12)9(15-10)14-7-3-1-2-4-8(7)16/h5,7-8,16H,1-4H2,(H,13,14,15)
InChIKeyFHUBGBKLJDADKO-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.98
Rot. Bonds2

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

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 79080644) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID79080644
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H13ClFN3O/c11-10-13-5-6(12)9(15-10)14-7-3-1-2-4-8(7)16/h5,7-8,16H,1-4H2,(H,13,14,15)
InChIKeyFHUBGBKLJDADKO-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 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol (CID 79080644) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCCCC1Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is FHUBGBKLJDADKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-10-13-5-6(12)9(15-10)14-7-3-1-2-4-8(7)16/h5,7-8,16H,1-4H2,(H,13,14,15).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
2-[(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 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79080644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).