4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one

C10H14N4O2 — CID 136977554

IUPAC4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2C3CNCC32)nc[nH]c1=O
InChIInChI=1S/C10H14N4O2/c1-16-8-9(12-4-13-10(8)15)14-7-5-2-11-3-6(5)7/h4-7,11H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyCQWYMNVKVJBNKV-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.59
Rot. Bonds3

About 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one

4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136977554) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136977554
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2C3CNCC32)nc[nH]c1=O
InChIInChI=1S/C10H14N4O2/c1-16-8-9(12-4-13-10(8)15)14-7-5-2-11-3-6(5)7/h4-7,11H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyCQWYMNVKVJBNKV-UHFFFAOYSA-N
XLogP-0.59
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 137007750
4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978592
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137016550
4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976362
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136977554) is 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2C3CNCC32)nc[nH]c1=O.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is CQWYMNVKVJBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-8-9(12-4-13-10(8)15)14-7-5-2-11-3-6(5)7/h4-7,11H,2-3H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136977554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).