4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one

C17H21N5O — CID 167383606

IUPAC4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(CN3CC4CC(N)C4C3)cc2)c(=O)n1
InChIInChI=1S/C17H21N5O/c18-15-7-12-9-21(10-14(12)15)8-11-1-3-13(4-2-11)22-6-5-16(19)20-17(22)23/h1-6,12,14-15H,7-10,18H2,(H2,19,20,23)
InChIKeyMPNOYONJIIXHDJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.59
Rot. Bonds3

About 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one

4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one (PubChem CID 167383606) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one
PubChem CID167383606
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2ccc(CN3CC4CC(N)C4C3)cc2)c(=O)n1
InChIInChI=1S/C17H21N5O/c18-15-7-12-9-21(10-14(12)15)8-11-1-3-13(4-2-11)22-6-5-16(19)20-17(22)23/h1-6,12,14-15H,7-10,18H2,(H2,19,20,23)
InChIKeyMPNOYONJIIXHDJ-UHFFFAOYSA-N
XLogP0.59
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one with MolForge

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Related Compounds

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
4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
CID 167383261
4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one
CID 154650380
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831
4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
CID 154652181
1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]-4-(hydroxyamino)pyrimidin-2-one;piperazin-4-ide;yttrium
CID 154650558
tert-butyl N-[1-[[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]methyl]piperidin-4-yl]carbamate
CID 154652494
4-amino-1-[4-[[[(1S,3S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 168747626
4-amino-1-[4-[[[(1S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 154651541
4-amino-1-[4-[[[(5R)-3-azabicyclo[3.1.0]hexan-6-yl]methylamino]methyl]phenyl]pyrimidin-2-one
CID 154650543

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one (CID 167383606) is 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one is Nc1ccn(-c2ccc(CN3CC4CC(N)C4C3)cc2)c(=O)n1.
What is the InChIKey of 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one?
The InChIKey is MPNOYONJIIXHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-15-7-12-9-21(10-14(12)15)8-11-1-3-13(4-2-11)22-6-5-16(19)20-17(22)23/h1-6,12,14-15H,7-10,18H2,(H2,19,20,23).
What are the key properties of 4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one?
4-amino-1-[4-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one has a molecular weight of 311.39 g/mol, XLogP of 0.59, 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-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 167383606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).