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

C10H15FN4O — CID 80769430

IUPAC4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C10H15FN4O/c11-8-5-13-10(12)15-9(8)14-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H3,12,13,14,15)
InChIKeyPGZVOFNYARJKDH-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.91
Rot. Bonds2

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

4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 80769430) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID80769430
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C10H15FN4O/c11-8-5-13-10(12)15-9(8)14-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H3,12,13,14,15)
InChIKeyPGZVOFNYARJKDH-UHFFFAOYSA-N
XLogP0.91
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol (CID 80769430) is 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol is Nc1ncc(F)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is PGZVOFNYARJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-8-5-13-10(12)15-9(8)14-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H3,12,13,14,15).
What are the key properties of 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 226.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80769430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).