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

C11H17FN4O — CID 113395206

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol
SMILESNc1ncc(F)c(NC2CCCCCC2O)n1
InChIInChI=1S/C11H17FN4O/c12-7-6-14-11(13)16-10(7)15-8-4-2-1-3-5-9(8)17/h6,8-9,17H,1-5H2,(H3,13,14,15,16)
InChIKeySFHQOQXFBKBUAJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.30
Rot. Bonds2

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

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol (PubChem CID 113395206) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol
PubChem CID113395206
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol
SMILESNc1ncc(F)c(NC2CCCCCC2O)n1
InChIInChI=1S/C11H17FN4O/c12-7-6-14-11(13)16-10(7)15-8-4-2-1-3-5-9(8)17/h6,8-9,17H,1-5H2,(H3,13,14,15,16)
InChIKeySFHQOQXFBKBUAJ-UHFFFAOYSA-N
XLogP1.30
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 80827366
trans-(1R,2R)-2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 67010791
4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine
CID 80849472
5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80847184
cis-(1R,2S)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 67290942
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836
[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368178
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
4-cyclopentyl-5-fluoropyrimidin-2-amine
CID 171659947
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 104506749
4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198376

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol (CID 113395206) is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol is Nc1ncc(F)c(NC2CCCCCC2O)n1.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol?
The InChIKey is SFHQOQXFBKBUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c12-7-6-14-11(13)16-10(7)15-8-4-2-1-3-5-9(8)17/h6,8-9,17H,1-5H2,(H3,13,14,15,16).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol?
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol has a molecular weight of 240.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol is sourced from PubChem (CID 113395206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).