4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C12H18N4O3 — CID 136978592

IUPAC4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2C(N)C3CCCOC32)nc[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-18-10-11(14-5-15-12(10)17)16-8-7(13)6-3-2-4-19-9(6)8/h5-9H,2-4,13H2,1H3,(H2,14,15,16,17)
InChIKeyVRMWGKBAGYQTSD-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.30
Rot. Bonds3

About 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136978592) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136978592
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2C(N)C3CCCOC32)nc[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-18-10-11(14-5-15-12(10)17)16-8-7(13)6-3-2-4-19-9(6)8/h5-9H,2-4,13H2,1H3,(H2,14,15,16,17)
InChIKeyVRMWGKBAGYQTSD-UHFFFAOYSA-N
XLogP-0.30
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977554
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525
8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 106660889
8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211171
4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137016550
3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one
CID 66210982
4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976362
4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136989825
3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]pyridazine-4-carbonitrile
CID 80515067
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839

Frequently Asked Questions

What is the IUPAC name of 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136978592) is 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2C(N)C3CCCOC32)nc[nH]c1=O.
What is the InChIKey of 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is VRMWGKBAGYQTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-10-11(14-5-15-12(10)17)16-8-7(13)6-3-2-4-19-9(6)8/h5-9H,2-4,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.30 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136978592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).