4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one

C16H19N5O — CID 167383261

IUPAC4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(CN3CC4(CNC4)C3)cc2)c(=O)n1
InChIInChI=1S/C16H19N5O/c17-14-5-6-21(15(22)19-14)13-3-1-12(2-4-13)7-20-10-16(11-20)8-18-9-16/h1-6,18H,7-11H2,(H2,17,19,22)
InChIKeyBFSCVFGDKIDRIO-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.22
Rot. Bonds3

About 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one

4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one (PubChem CID 167383261) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
PubChem CID167383261
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(CN3CC4(CNC4)C3)cc2)c(=O)n1
InChIInChI=1S/C16H19N5O/c17-14-5-6-21(15(22)19-14)13-3-1-12(2-4-13)7-20-10-16(11-20)8-18-9-16/h1-6,18H,7-11H2,(H2,17,19,22)
InChIKeyBFSCVFGDKIDRIO-UHFFFAOYSA-N
XLogP0.22
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one
CID 154650380
4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one
CID 167383606
4-amino-1-[4-[[(1S,5R)-6-(1-aminoethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 155006255
4-amino-1-[4-[[(1R,5S)-6-(methylaminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 167383259
1-[4-(5-azaspiro[2.4]heptan-5-ylmethyl)phenyl]-4-piperazin-1-ylpyrimidin-2-one;formamide
CID 154650884
4-amino-1-[4-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one
CID 154651025
4-amino-1-[4-[[[(5R)-3-azabicyclo[3.1.0]hexan-6-yl]methylamino]methyl]phenyl]pyrimidin-2-one
CID 154650543
4-amino-1-[4-[[(4-amino-1-bicyclo[2.2.2]octanyl)amino]methyl]phenyl]pyrimidin-2-one
CID 155006351
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one
CID 167383666
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one (CID 167383261) is 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one is Nc1ccn(-c2ccc(CN3CC4(CNC4)C3)cc2)c(=O)n1.
What is the InChIKey of 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one?
The InChIKey is BFSCVFGDKIDRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-14-5-6-21(15(22)19-14)13-3-1-12(2-4-13)7-20-10-16(11-20)8-18-9-16/h1-6,18H,7-11H2,(H2,17,19,22).
What are the key properties of 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one?
4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one is sourced from PubChem (CID 167383261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).