2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C14H20FN5O — CID 72940646

IUPAC2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1nc(N2CCC3(CCCN(C)C3=O)C2)ncc1F
InChIInChI=1S/C14H20FN5O/c1-16-11-10(15)8-17-13(18-11)20-7-5-14(9-20)4-3-6-19(2)12(14)21/h8H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyVFKLPBGWRZVTFN-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.11
Rot. Bonds2

About 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72940646) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72940646
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC Name2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1nc(N2CCC3(CCCN(C)C3=O)C2)ncc1F
InChIInChI=1S/C14H20FN5O/c1-16-11-10(15)8-17-13(18-11)20-7-5-14(9-20)4-3-6-19(2)12(14)21/h8H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyVFKLPBGWRZVTFN-UHFFFAOYSA-N
XLogP1.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 72940646) is 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CNc1nc(N2CCC3(CCCN(C)C3=O)C2)ncc1F.
What is the InChIKey of 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VFKLPBGWRZVTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c1-16-11-10(15)8-17-13(18-11)20-7-5-14(9-20)4-3-6-19(2)12(14)21/h8H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 293.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72940646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).