2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine

C10H11ClN4 — CID 134516145

IUPAC2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine
SMILESC=C1C(N)C2CN(c3cc(Cl)ncn3)C12
InChIInChI=1S/C10H11ClN4/c1-5-9(12)6-3-15(10(5)6)8-2-7(11)13-4-14-8/h2,4,6,9-10H,1,3,12H2
InChIKeyDWPMDIHFQQZSIJ-UHFFFAOYSA-N
MW222.68 g/mol
LogP0.83
Rot. Bonds1

About 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine

2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine (PubChem CID 134516145) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine
PubChem CID134516145
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine
SMILESC=C1C(N)C2CN(c3cc(Cl)ncn3)C12
InChIInChI=1S/C10H11ClN4/c1-5-9(12)6-3-15(10(5)6)8-2-7(11)13-4-14-8/h2,4,6,9-10H,1,3,12H2
InChIKeyDWPMDIHFQQZSIJ-UHFFFAOYSA-N
XLogP0.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-pyridinyl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine
CID 134516088
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane
CID 131029065
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
(4aR,8aS)-1-(6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129367185
(3aR,6aR)-2-(6-chloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129380883
4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
CID 76837839
1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine
CID 87290230
2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 22309526
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
(3aR,6aS)-5-(6-chloropyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129359487
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine (CID 134516145) is 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine is C=C1C(N)C2CN(c3cc(Cl)ncn3)C12.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine?
The InChIKey is DWPMDIHFQQZSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-5-9(12)6-3-15(10(5)6)8-2-7(11)13-4-14-8/h2,4,6,9-10H,1,3,12H2.
What are the key properties of 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine?
2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine has a molecular weight of 222.68 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)-6-methylidene-2-azabicyclo[2.2.0]hexan-5-amine is sourced from PubChem (CID 134516145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).