1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C11H17FN4O — CID 80842335

IUPAC1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCNc1ncc(F)c(NCC2(O)CCCC2)n1
InChIInChI=1S/C11H17FN4O/c1-13-10-14-6-8(12)9(16-10)15-7-11(17)4-2-3-5-11/h6,17H,2-5,7H2,1H3,(H2,13,14,15,16)
InChIKeyIAGWRCAUGLYFNR-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.37
Rot. Bonds4

About 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 80842335) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID80842335
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCNc1ncc(F)c(NCC2(O)CCCC2)n1
InChIInChI=1S/C11H17FN4O/c1-13-10-14-6-8(12)9(16-10)15-7-11(17)4-2-3-5-11/h6,17H,2-5,7H2,1H3,(H2,13,14,15,16)
InChIKeyIAGWRCAUGLYFNR-UHFFFAOYSA-N
XLogP1.37
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 80842335) is 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CNc1ncc(F)c(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is IAGWRCAUGLYFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-13-10-14-6-8(12)9(16-10)15-7-11(17)4-2-3-5-11/h6,17H,2-5,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 240.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80842335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).