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

C12H19FN4O — CID 114953964

IUPAC1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCNc1ncc(F)c(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C12H19FN4O/c1-14-11-15-7-9(13)10(16-11)17(2)8-12(18)5-3-4-6-12/h7,18H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyPJJGVVBUXPFGAH-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.40
Rot. Bonds4

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

1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114953964) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114953964
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCNc1ncc(F)c(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C12H19FN4O/c1-14-11-15-7-9(13)10(16-11)17(2)8-12(18)5-3-4-6-12/h7,18H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyPJJGVVBUXPFGAH-UHFFFAOYSA-N
XLogP1.40
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
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]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol (CID 114953964) is 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol is CNc1ncc(F)c(N(C)CC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PJJGVVBUXPFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-14-11-15-7-9(13)10(16-11)17(2)8-12(18)5-3-4-6-12/h7,18H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 254.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 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]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114953964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).