4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one

C19H25N5O — CID 154650380

IUPAC4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(CN3CCC4(CCC4N)CC3)cc2)c(=O)n1
InChIInChI=1S/C19H25N5O/c20-16-5-7-19(16)8-11-23(12-9-19)13-14-1-3-15(4-2-14)24-10-6-17(21)22-18(24)25/h1-4,6,10,16H,5,7-9,11-13,20H2,(H2,21,22,25)
InChIKeyJRBOLNCSKBHSJA-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.52
Rot. Bonds3

About 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one

4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one (PubChem CID 154650380) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one
PubChem CID154650380
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(CN3CCC4(CCC4N)CC3)cc2)c(=O)n1
InChIInChI=1S/C19H25N5O/c20-16-5-7-19(16)8-11-23(12-9-19)13-14-1-3-15(4-2-14)24-10-6-17(21)22-18(24)25/h1-4,6,10,16H,5,7-9,11-13,20H2,(H2,21,22,25)
InChIKeyJRBOLNCSKBHSJA-UHFFFAOYSA-N
XLogP1.52
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
CID 167383261
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-[3-(2-amino-7-azaspiro[3.5]nonan-7-yl)propyl]phenyl]pyrimidin-2-one
CID 154651025
4-amino-1-[4-[[(1S,5R)-6-(1-aminoethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 155006255
tert-butyl N-[1-[[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]methyl]piperidin-4-yl]carbamate
CID 154652494
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831
4-amino-1-[4-[[(1R,5S)-6-(methylaminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 167383259
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
CID 154652181
4-amino-1-[4-[[(4-amino-1-bicyclo[2.2.2]octanyl)amino]methyl]phenyl]pyrimidin-2-one
CID 155006351
4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one
CID 154650425
4-amino-1-[3-[2-(2-amino-7-azaspiro[3.5]nonan-7-yl)ethyl]phenyl]pyrimidin-2-one
CID 154651065

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one (CID 154650380) is 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one is Nc1ccn(-c2ccc(CN3CCC4(CCC4N)CC3)cc2)c(=O)n1.
What is the InChIKey of 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one?
The InChIKey is JRBOLNCSKBHSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-16-5-7-19(16)8-11-23(12-9-19)13-14-1-3-15(4-2-14)24-10-6-17(21)22-18(24)25/h1-4,6,10,16H,5,7-9,11-13,20H2,(H2,21,22,25).
What are the key properties of 4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one?
4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 1.52, 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-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 154650380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).