5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one

C13H21N5O — CID 136974394

IUPAC5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(CNc1nc[nH]c(=O)c1N)C2
InChIInChI=1S/C13H21N5O/c1-18-9-2-3-10(18)5-8(4-9)6-15-12-11(14)13(19)17-7-16-12/h7-10H,2-6,14H2,1H3,(H2,15,16,17,19)
InChIKeyDPUPXKASJQIXNG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.64
Rot. Bonds3

About 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974394) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974394
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(CNc1nc[nH]c(=O)c1N)C2
InChIInChI=1S/C13H21N5O/c1-18-9-2-3-10(18)5-8(4-9)6-15-12-11(14)13(19)17-7-16-12/h7-10H,2-6,14H2,1H3,(H2,15,16,17,19)
InChIKeyDPUPXKASJQIXNG-UHFFFAOYSA-N
XLogP0.64
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-amino-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974112
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62938656
5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978128
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one
CID 136974646
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136974394) is 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one is CN1C2CCC1CC(CNc1nc[nH]c(=O)c1N)C2.
What is the InChIKey of 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is DPUPXKASJQIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-18-9-2-3-10(18)5-8(4-9)6-15-12-11(14)13(19)17-7-16-12/h7-10H,2-6,14H2,1H3,(H2,15,16,17,19).
What are the key properties of 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).