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

C11H17FN4O — CID 114954084

IUPAC1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nc(N)ncc1F
InChIInChI=1S/C11H17FN4O/c1-16(7-11(17)4-2-3-5-11)9-8(12)6-14-10(13)15-9/h6,17H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyOSWYQMSMQDVFDR-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.94
Rot. Bonds3

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

1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114954084) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114954084
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nc(N)ncc1F
InChIInChI=1S/C11H17FN4O/c1-16(7-11(17)4-2-3-5-11)9-8(12)6-14-10(13)15-9/h6,17H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyOSWYQMSMQDVFDR-UHFFFAOYSA-N
XLogP0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114954084) is 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1nc(N)ncc1F.
What is the InChIKey of 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is OSWYQMSMQDVFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-16(7-11(17)4-2-3-5-11)9-8(12)6-14-10(13)15-9/h6,17H,2-5,7H2,1H3,(H2,13,14,15).
What are the key properties of 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 240.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114954084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).